SCHEMBL13580792

SCHEMBL13580792

CC(C)(C)c1ccc(Oc2cccc(-c3ccc(OC(F)(F)F)cc3)c2C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.41
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ AR P10275 2/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ P2RY1 P47900 1/20 0.34

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
SCHEMBL15429147 0.87 SLC6A2 (0.38) TRPV1SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL15434148 0.85 TRPV1 (0.41) TRPV1EPHX2NR1H4PPARGPPARA
SCHEMBL13580818 0.81 TRPV1 (0.43) TRPV1SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL13580779 0.81 EPHX2 (0.44) TRPV1SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL12952672 0.80 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2EPHX2KIF11
SCHEMBL15429148 0.79 SLC6A2 (0.41) TRPV1SLC6A4SLC6A3SLC6A2EPHX2
SCHEMBL15434147 0.77 FFAR4 (0.49) TRPV1EPHX2NR1H4PPARGPPARA
SCHEMBL13581097 0.76 LMNA (0.41) TRPV1MAPTNPSR1GAAFFAR4
SCHEMBL31168907 0.76 ALDH1A1 (0.41) NR1H4MAPTNPSR1ARKIF11
SCHEMBL13580811 0.76 TRPV1 (0.46) TRPV1SLC6A4SLC6A3SLC6A2EPHX2

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 3 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
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 — — US 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 4862/4885SLC6A4 4807/4885SLC6A3 4737/4885

“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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