SCHEMBL7738844

SCHEMBL7738844

Cc1ccc2c(c1)C=CC(C)(C)O2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.58
EPAS1 Q99814 11/20 0.58
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CA7 P43166 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGS1 P23219 1/20 0.44

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
SCHEMBL9219622 0.83 HTR2C (0.54) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL3049240 0.81 ALDH1A1 (0.46) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL9294695 0.80 HIF1A (0.48) HIF1AEPAS1
SCHEMBL30140565 0.79 XDH (0.68) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL9475843 0.79 ALDH1A1 (0.45) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL8723354 0.79 XDH (0.68) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL2012004 0.79 HIF1A (0.46) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL482227 0.79 NPSR1 (0.49) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL6024450 0.79 HTR2C (0.54) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL19600972 0.79 HIF1A (0.41) HIF1AEPAS1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2871187-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2017-09-20 EP disclosed
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2016-06-16 US disclosed
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2016-06-16 US disclosed
WO-2010123139-A1 ARYLCARBOXAMIDE DERIVATIVE HAVING SULFAMOYL GROUP 持田製薬株式会社 (JP) 2010-10-28 WO disclosed
US-6410678-B1 HYDROXYL END GROUPS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
EP-1149852-A1 AROMATIC POLYCARBONATE, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE TEIJIN LIMITED (JP) 2001-10-31 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 (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-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NAT10 HIF1A 3098/4885EPAS1 4052/4885ALDH1A1 2486/4885

“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.