SCHEMBL13580939

SCHEMBL13580939

CC(C)(C)c1ccc(Oc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.47
▸ EPHX2 P34913 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SLC6A4 P31645 5/20 0.41
▸ SLC6A2 P23975 4/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 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
SCHEMBL13580929 0.89 TRPV1 (0.45) TRPV1EPHX2NR1H4ALDH1A1HPGD
SCHEMBL12952689 0.89 TRPV1 (0.47) TRPV1EPHX2NR1H4ALDH1A1HPGD
SCHEMBL13580934 0.87 EPHX2 (0.47) TRPV1EPHX2NR1H4RAB9ASLC6A4
SCHEMBL12732779 0.82 NPSR1 (0.43) TRPV1ALDH1A1HPGDMAPTNPSR1
SCHEMBL13580812 0.81 TRPV1 (0.45) TRPV1EPHX2NR1H4ALDH1A1HPGD
SCHEMBL12953070 0.81 TRPV1 (0.42) TRPV1EPHX2NR1H4ALDH1A1HPGD
SCHEMBL13580798 0.80 TRPV1 (0.44) TRPV1EPHX2NR1H4ALDH1A1HPGD
SCHEMBL13581087 0.79 IDO1 (0.39) TRPV1
SCHEMBL12732734 0.79 L3MBTL1 (0.48) ALDH1A1HPGDNPC1MAPTMAPK1
SCHEMBL12952783 0.79 AURKA (0.53) TRPV1EPHX2NR1H4ALDH1A1HPGD

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 4862/4885EPHX2 1824/4885NR1H4 2901/4885

“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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