SCHEMBL2534786

SCHEMBL2534786

O=C(O)/C=C/c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.55
PTGER4 P35408 4/20 0.47
PTGER1 P34995 3/20 0.47
PTGER3 P43115 3/20 0.47
PTGER2 P43116 3/20 0.47
ESR1 P03372 2/20 0.46
AKR1C3 P42330 2/20 0.45
PPARD Q03181 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
ALOX5 P09917 2/20 0.44
PSEN1 P49768 2/20 0.44
PTGES O14684 1/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL2534788 1.00 PPARG (0.55) PPARGPTGER4PTGER1PTGER3PTGER2
SCHEMBL2538769 0.96 PPARG (0.49) PPARGPTGER4PTGER1PTGER3PTGER2
SCHEMBL2538771 0.96 PPARG (0.49) PPARGPTGER4PTGER1PTGER3PTGER2
SCHEMBL2532401 0.93 PTGER4 (0.51) PPARGPTGER4PTGER1PTGER3PTGER2
SCHEMBL2536639 0.93 PTGER4 (0.51) PPARGPTGER4PTGER1PTGER3PTGER2
SCHEMBL2536635 0.93 PTGER4 (0.51) PPARGPTGER4PTGER1PTGER3PTGER2
SCHEMBL2532399 0.93 PTGER4 (0.51) PPARGPTGER4PTGER1PTGER3PTGER2
SCHEMBL2532594 0.92 PTGER4 (0.55) PPARGPTGER4PTGER1PTGER3PTGER2
SCHEMBL2537060 0.92 PTGER4 (0.55) PPARGPTGER4PTGER1PTGER3PTGER2
SCHEMBL2532595 0.92 PTGER4 (0.55) PPARGPTGER4PTGER1PTGER3PTGER2

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 8 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-8044236-B2 Inhibitors against plasminogen activator inhibitor-1 (PAI-1); anticoagulants; 2-(aryl or aralkyloxy-)-5-(aryl)phenyl}acetic acid (or derivatives of propionic acid, propenoic acid, N-oxamic acid or 1H-tetrazol-5-yl); occlusion, stenosis; low molecular weight; gene expression inhibition INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-10-25 US 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
EP-2080751-A1 CARBOXYLIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-07-22 EP disclosed
US-20080275116-A1 Carboxilic acid derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-11-06 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 (2 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 PPARG 2985/4885PTGER4 1401/4885PTGER1 182/4885
US-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 PPARG 818/4885PTGER4 3046/4885PTGER1 905/4885

“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.