SCHEMBL13581087

SCHEMBL13581087

CC(C)(C)c1cccc(Oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ TPX2 Q9ULW0 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SCN5A Q14524 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ SERPINE1 P05121 2/20 0.36
▸ PPIB P23284 1/20 0.36
▸ PPIA P62937 1/20 0.36
▸ P2RY1 P47900 1/20 0.36

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
SCHEMBL15434079 0.90 THRA (0.41) IDO1CYP2C9RXRARXRBCCR6
SCHEMBL13580929 0.87 TRPV1 (0.45) ABL1AURKATPX2TRPV1SERPINE1
SCHEMBL12953070 0.87 TRPV1 (0.42) IDO1ABL1CYP2C9AURKATPX2
SCHEMBL12732779 0.83 NPSR1 (0.43) CYP2C9CYP3A4CYP2C19TRPV1
SCHEMBL12952661 0.83 TTR (0.49) ABL1AURKATPX2SCN5ASERPINE1
SCHEMBL12952765 0.83 FYN (0.45) IDO1ABL1CYP2C9RXRARXRB
SCHEMBL13580959 0.83 AURKA (0.47) ABL1AURKATPX2SCN5A
SCHEMBL13581086 0.82 IDO1 (0.38) IDO1CYP2C9RXRARXRBCYP3A4
SCHEMBL13580972 0.80 TRPV1 (0.38) IDO1CYP2C9RXRARXRBCCR6
SCHEMBL13580939 0.79 TRPV1 (0.47) TRPV1

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 IDO1 496/4885ABL1 3997/4885CYP2C9 1890/4885

“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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