SCHEMBL2531097

SCHEMBL2531097

CCOC(=O)CCc1cc(-c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
CCR5 P51681 1/20 0.43
PTGER1 P34995 2/20 0.42
SMPD1 P17405 1/20 0.41
TACR2 P21452 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PTPN1 P18031 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
XDH P47989 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
AKR1C3 P42330 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL2537564 0.90 PSEN1 (0.47) RXRARXRBRXRGPTGER1PTPN1
SCHEMBL2534893 0.89 PPARD (0.43) RXRARXRBRXRGPTGER1XDH
SCHEMBL2540899 0.88 RXRA (0.50) RXRARXRBRXRGPTGER1SMPD1
SCHEMBL2539344 0.88 RXRA (0.50) RXRARXRBRXRGPTGER1SMPD1
SCHEMBL2537078 0.85 MRGPRX4 (0.53) RXRARXRBRXRGPTGER1XDH
SCHEMBL13581062 0.83 MAPK1 (0.44) RXRARXRBRXRGPTGER1KDM4E
SCHEMBL2536062 0.82 RXRA (0.53) RXRARXRBRXRGPTGER1XDH
SCHEMBL13581071 0.82 SMN1; SMN2 (0.46) RXRARXRBRXRGPTGER1ITGB1
SCHEMBL2538767 0.81 PTGER4 (0.54) PTGER1KDM4EFFAR4AKR1C3MRGPRX4
SCHEMBL2535462 0.81 GPR34 (0.45) FFAR4MRGPRX4

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-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
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
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 RXRA 2139/4885RXRB 1993/4885RXRG 2204/4885
US-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 RXRA 596/4885RXRB 634/4885RXRG 1007/4885

“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.