SCHEMBL12952689

SCHEMBL12952689

CC(C)(C)c1ccc(Oc2cc(Oc3ccc(OC(F)(F)F)cc3)ccc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ EPHX2 P34913 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ PPARG P37231 2/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ AR P10275 1/20 0.40
▸ ESRRA P11474 1/20 0.40
▸ SLC6A4 P31645 4/20 0.39
▸ SLC6A2 P23975 3/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ FGFR2 P21802 1/20 0.39

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
SCHEMBL13580812 0.89 TRPV1 (0.45) TRPV1ALDH1A1HPGDNPC1MAPT
SCHEMBL13580939 0.89 TRPV1 (0.47) TRPV1ALDH1A1HPGDNPC1MAPT
SCHEMBL13580929 0.81 TRPV1 (0.45) TRPV1ALDH1A1HPGDEPHX2NR1H4
SCHEMBL13580782 0.80 TRPV1 (0.44) TRPV1ALDH1A1HPGDNPC1MAPT
SCHEMBL13580934 0.79 EPHX2 (0.47) TRPV1RAB9AEPHX2NR1H4PPARG
SCHEMBL15434079 0.79 THRA (0.41) TRPV1THRBAR
SCHEMBL11013414 0.79 ALDH1A1 (0.50) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL101989 0.78 TRPV1 (0.62) TRPV1ALDH1A1HPGDNPC1MAPT
SCHEMBL13580798 0.77 TRPV1 (0.44) TRPV1ALDH1A1HPGDNPC1MAPT
SCHEMBL15434121 0.76 GAA (0.45) TRPV1EPHX2NR1H4PPARGPPARA

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
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 — — US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 — — US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 — — EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 — — US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 — — US disclosed
WO-2009125606-A1 PAI-1 INHIBITOR 株式会社医薬分子設計研究所 (JP) 2009-10-15 — — 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-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 TRPV1 4862/4885ALDH1A1 1168/4885HPGD 577/4885

“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.

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