SCHEMBL629641

SCHEMBL629641

O=C(O)c1cc2cc(OCc3ccccc3)ccc2cc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.62
ALOX5 P09917 1/20 0.61
MRGPRX4 Q96LA9 1/20 0.58
FOLH1 Q04609 1/20 0.56
SRD5A2 P31213 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HPGD P15428 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NR4A2 P43354 2/20 0.54
NR4A1 P22736 1/20 0.54
NR4A3 Q92570 1/20 0.54
MAOB P27338 1/20 0.54
MCL1 Q07820 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
P2RY14 Q15391 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL8202692 0.92 KDM4E (0.64) SLC16A3ALOX5MRGPRX4SRD5A2ALDH1A1
SCHEMBL7273836 0.91 FOLH1 (0.61) SLC16A3ALOX5MRGPRX4FOLH1SRD5A2
SCHEMBL2990559 0.90 KDM4E (0.57) SLC16A3MRGPRX4FOLH1SRD5A2ALDH1A1
SCHEMBL29375765 0.90 KDM4E (0.57) SLC16A3MRGPRX4FOLH1SRD5A2ALDH1A1
SCHEMBL3002348 0.90 SLC16A3 (0.52) SLC16A3ALOX5MRGPRX4FOLH1SRD5A2
SCHEMBL29376304 0.89 FOLH1 (0.53) SLC16A3MRGPRX4FOLH1ALDH1A1KDM4E
SCHEMBL22412608 0.89 FOLH1 (0.53) SLC16A3MRGPRX4FOLH1ALDH1A1KDM4E
SCHEMBL5695710 0.89 NR4A2 (0.59) SLC16A3MRGPRX4FOLH1SRD5A2NR4A2
SCHEMBL630698 0.87 MEN1 (0.57) SLC16A3ALOX5MRGPRX4SRD5A2ALDH1A1
SCHEMBL344833 0.86 FOLH1 (0.68) SLC16A3ALOX5FOLH1SRD5A2ALDH1A1

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 5 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-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-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 (1 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 SLC16A3 4413/4885ALOX5 215/4885MRGPRX4 2092/4885

“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.