SCHEMBL629648

SCHEMBL629648

C=Cc1cc(OC)ccc1C=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
ERN1 O75460 3/20 0.59
TRIM24 O15164 1/20 0.59
TYR P14679 1/20 0.59
TRIM33 Q9UPN9 1/20 0.59
CYP1A2 P05177 5/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A1 P04798 3/20 0.46
CYP1B1 Q16678 3/20 0.46
CYP2A6 P11509 1/20 0.45
NFE2L2 Q16236 1/20 0.44
LMNA P02545 2/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10861186 0.92 ALDH1A1 (0.61) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL30567454 0.88 CYP1A2 (0.52) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL9065566 0.88 CYP1A2 (0.52) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL29957021 0.88 ALDH1A1 (0.70) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL12672585 0.88 ALDH1A1 (0.70) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL24862125 0.79 CYP1A2 (0.48) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL14392477 0.78 CHRM2 (0.50) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL15684421 0.78 KMT2A (0.48) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL23597943 0.78 CYP1A2 (0.52) ALDH1A1CYP1A2CYP2C19MAPTKDM4E
SCHEMBL11364258 0.78 MAPT (0.67) ALDH1A1MAPTNFE2L2MEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands KARO BIO AB (SE) 2009-12-31 US disclosed
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands KARO BIO AB (SE) 2009-12-31 US disclosed
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands KARO BIO AB (SE) 2009-12-31 US disclosed
EP-2074102-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-07-01 EP disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2008043567-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2008-04-17 WO disclosed
WO-2008043567-A1 2-PHENYL INDENE DERIVATIVES USEFUL AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2008-04-17 WO disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO 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 (2 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC ALDH1A1 2690/4885ERN1 3196/4885TRIM24 2592/4885
US-20090326018-A1 2-Phenyl indene derivatives useful as estrogen receptor ligands ESR1, GPER1, ESR2 ALDH1A1 1020/4885ERN1 289/4885TRIM24 4026/4885

“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.