SCHEMBL13580934

SCHEMBL13580934

CC(C)(C)c1ccc(COc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ APP P05067 1/20 0.44
▸ RXRA P19793 2/20 0.43
▸ RXRB P28702 2/20 0.43
▸ NR4A2 P43354 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ SLC6A4 P31645 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ PPARG P37231 2/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ NR4A3 Q92570 1/20 0.40
▸ RHEB Q15382 1/20 0.40
▸ PPARD Q03181 1/20 0.39
▸ VNN1 O95497 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
SCHEMBL13580799 0.89 EPHX2 (0.46) EPHX2NR1H4APPRXRARXRB
SCHEMBL13580939 0.87 TRPV1 (0.47) EPHX2NR1H4SLC6A4TRPV1PPARG
SCHEMBL13581136 0.85 MRGPRX4 (0.49) EPHX2RXRARXRBSLC6A4PPARG
SCHEMBL13580794 0.84 PSEN1 (0.47) EPHX2NR1H4APPRXRARXRB
SCHEMBL13581137 0.83 PPARG (0.42) EPHX2NR1H4APPRXRARXRB
SCHEMBL12952952 0.82 EPHX2 (0.46) EPHX2NR1H4APPRXRARXRB
SCHEMBL13580770 0.81 EPHX2 (0.44) EPHX2NR1H4APPRXRARXRB
SCHEMBL13581092 0.80 EPHX2 (0.43) EPHX2NR1H4RXRARXRBNR4A2
SCHEMBL13439680 0.80 APP (0.66) EPHX2NR1H4APPRXRARXRB
SCHEMBL12952689 0.79 TRPV1 (0.47) EPHX2NR1H4SLC6A4TRPV1PPARG

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 EPHX2 1824/4885NR1H4 2901/4885APP 2746/4885

“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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