SCHEMBL2908281

SCHEMBL2908281

COc1cc(O)c(CN)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.50
TSHR P16473 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
NFKB1 P19838 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
APEX1 P27695 2/20 0.44
BLM P54132 2/20 0.42
PMP22 Q01453 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 2/20 0.41
TP53 P04637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14283818 0.83 HMGCR (0.53) HMGCRTSHRTAAR1MAPK1LMNA
SCHEMBL13225464 0.82 TAAR1 (0.50) HMGCRTSHRTAAR1MAPK1LMNA
SCHEMBL14283785 0.81 PDE4A (0.52) HMGCRTSHRTAAR1MAPK1LMNA
SCHEMBL2736890 0.80 TAAR1 (0.55) HMGCRTSHRTAAR1MAPK1LMNA
SCHEMBL12629209 0.80 TAAR1 (0.46) HMGCRTSHRTAAR1MAPK1LMNA
SCHEMBL2908279 0.79 HMGCR (0.50) HMGCRTSHRTAAR1MAPK1LMNA
SCHEMBL29063428 0.79 MAPT (0.52) HMGCRTSHRTAAR1MAPK1LMNA
SCHEMBL69624 0.79 MAOB (0.59) HMGCRTSHRTAAR1MAPK1LMNA
SCHEMBL19685198 0.79 MEN1 (0.55) MAPK1LMNANFKB1CYP3A4MEN1
SCHEMBL1754342 0.79 TRPV1 (0.48) HMGCRTSHRTAAR1MAPK1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526302-B1 Depigmentation composition containing derivatives of (2,5-dihydroxyphenyl)-carboxylica OREAL (FR) 1995-03-01 EP claimed
EP-0526302-A1 Depigmentation composition containing derivatives of (2,5-dihydroxyphenyl)-carboxylica L'OREAL (FR) 1993-02-03 EP claimed
US-8552013-B2 Heterocyclic compounds based on N6-substituted adenine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2013-10-08 US disclosed
US-8505730-B2 Compositions, kits and regimens for the treatment of skin, especially décolletage JR CHEM, LLC (US) 2013-08-13 US disclosed
US-20120312717-A1 COMPOSITIONS, KITS AND REGIMENS FOR THE TREATMENT OF SKIN, ESPECIALLY DECOLLETAGE JR CHEM, LLC (US) 2012-12-13 US disclosed
US-8273791-B2 Compositions, kits and regimens for the treatment of skin, especially décolletage JR CHEM, LLC (US) 2012-09-25 US disclosed
US-7816350-B2 Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2010-10-19 US disclosed
EP-1348707-B1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy USTAV EX BOTAN AV CR V V I I O (CZ) 2010-08-25 EP disclosed
EP-2087880-A2 Compositions, kits and regimens for the treatment of skin, especially décolletage Jr Chem, LLC (US) 2009-08-12 EP disclosed
US-20090176876-A1 COMPOSITIONS, KITS AND REGIMENS FOR THE TREATMENT OF SKIN, ESPECIALLY DECOLLETAGE JR CHEM, LLC (US) 2009-07-09 US disclosed
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2008-01-17 US disclosed
US-7279482-B2 Heterocyclic compound based on N6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds Ústav experimentálni botaniky Akademie ved Ceské republiky (CZ) 2007-10-09 US disclosed
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2006-02-16 US disclosed
US-6960347-B2 Composition based on N-cholesteryloxycarbonyl-4-para-aminophenol and hydroquinone or one of its derivatives L'OREAL (FR) 2005-11-01 US disclosed
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 US disclosed
CN-1556808-A Based on N6Heterocyclic compounds of substituted adenine, process for their preparation, their use for the preparation of medicaments, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds �ݿ˹��͹���������ʵ��ֲ��ѧ�� 2004-12-22 CN disclosed
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 EP disclosed
US-20010036446-A1 Composition based on N-cholesteryloxycarbonyl-4-para-aminophenol and hydroquinone or one of its derivatives L'OREAL (FR) 2001-11-01 US disclosed
EP-0526302-B1 Depigmentation composition containing derivatives of (2,5-dihydroxyphenyl)-carboxylica OREAL (FR) 1995-03-01 EP disclosed
EP-0526302-A1 Depigmentation composition containing derivatives of (2,5-dihydroxyphenyl)-carboxylica L'OREAL (FR) 1993-02-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS TYMP, CCNB1, CCNA2 HMGCR 1561/4885TSHR 1108/4885TAAR1 2142/4885
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ATIC, UMPS, CCNB1 HMGCR 1888/4885TSHR 1625/4885TAAR1 3350/4885
US-20090176876-A1 COMPOSITIONS, KITS AND REGIMENS FOR THE TREATMENT OF SKIN, ESPECIALLY DECOLLETAGE RARG, RARA, RXRG HMGCR 814/4885TSHR 2502/4885TAAR1 4868/4885
US-20060035909-A1 2,6,9-trisubstituted 8-azapurines such as 2-(4-aminocyclohexylamino)-6-benzylamino-9-isopropyl-8-azapurine, used as cyclin-dependent kinase inhibitors, in the treatment of skin disorders, viral infections, cancer, arthritis, lupus, diabetes, multiple sclerosis, restenosis, polycystic kidney disease, gout CDK8, CDK6, CDK1 HMGCR 2674/4885TSHR 2431/4885TAAR1 1013/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.