SCHEMBL12952954

SCHEMBL12952954

Oc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ SCN8A Q9UQD0 2/20 0.42
▸ SCN10A Q9Y5Y9 2/20 0.42
▸ KIF11 P52732 4/20 0.42
▸ AURKA O14965 1/20 0.42
▸ TPX2 Q9ULW0 1/20 0.42
▸ SCN5A Q14524 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ SERPINE1 P05121 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 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
SCHEMBL13580959 0.93 AURKA (0.47) KIF11AURKATPX2SCN5AABL1
SCHEMBL13580929 0.89 TRPV1 (0.45) PPARDTRPV1AURKATPX2ABL1
SCHEMBL12952661 0.87 TTR (0.49) SCN8ASCN10AAURKATPX2SCN5A
SCHEMBL12953070 0.83 TRPV1 (0.42) PPARDTRPV1KIF11AURKATPX2
SCHEMBL12952762 0.80 PPARD (0.41) PPARDTRPV1SCN8ASCN10AKIF11
SCHEMBL10989192 0.79 TRPV1 (0.54) TRPV1KIF11AURKATPX2SCN5A
SCHEMBL13581087 0.79 IDO1 (0.39) TRPV1AURKATPX2SCN5AABL1
SCHEMBL13580812 0.78 TRPV1 (0.45) TRPV1KIF11AURKATPX2RAB9A
SCHEMBL13580939 0.77 TRPV1 (0.47) TRPV1RAB9ASLC6A4
SCHEMBL13581102 0.77 KIF11 (0.41) PPARDTRPV1SCN8ASCN10AKIF11

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 PPARD 3616/4885TRPV1 4862/4885SCN8A 4705/4885

“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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