SCHEMBL12952952

SCHEMBL12952952

CC(C)(C)c1ccc(COc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ SERPINE1 P05121 1/20 0.46
▸ PTPN1 P18031 3/20 0.44
▸ PTPN2 P17706 2/20 0.44
▸ PTPN6 P29350 2/20 0.44
▸ PPARD Q03181 3/20 0.43
▸ APP P05067 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ NR4A2 P43354 2/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 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
SCHEMBL13580799 0.91 EPHX2 (0.46) EPHX2NR1H4SERPINE1PTPN1PTPN2
SCHEMBL13580806 0.84 EPHX2 (0.47) EPHX2NR1H4SERPINE1PPARDAPP
SCHEMBL13580812 0.84 TRPV1 (0.45) EPHX2NR1H4SERPINE1PTPN1PTPN2
SCHEMBL1239666 0.83 SERPINE1 (0.44) EPHX2NR1H4SERPINE1PPARDAPP
SCHEMBL13580769 0.83 SERPINE1 (0.44) EPHX2NR1H4SERPINE1PTPN1PTPN2
SCHEMBL13580934 0.82 EPHX2 (0.47) EPHX2NR1H4PPARDAPPMAOB
SCHEMBL13580807 0.82 SERPINE1 (0.43) EPHX2NR1H4SERPINE1PPARDAPP
SCHEMBL13580833 0.81 XDH (0.42) EPHX2NR1H4SERPINE1PPARDAPP
SCHEMBL13581072 0.81 EPHX2 (0.50) EPHX2NR1H4SERPINE1PPARDPPARG
SCHEMBL2532662 0.81 PSEN1 (0.44) EPHX2NR1H4SERPINE1PTPN1PPARD

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 EPHX2 1824/4885NR1H4 2901/4885SERPINE1 2/4885

“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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