SCHEMBL2074029

SCHEMBL2074029

CCCC(Oc1ccc2ccncc2c1)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
MRGPRX4 Q96LA9 1/20 0.42
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
CACNA2D1 P54289 2/20 0.39
NOTUM Q6P988 1/20 0.38
PORCN Q9H237 1/20 0.38
AR P10275 1/20 0.38
CYP3A4 P08684 1/20 0.38
PRMT3 O60678 2/20 0.38
ALDH2 P05091 1/20 0.37
IKBKB O14920 1/20 0.37
IMPDH2 P12268 1/20 0.37
MELK Q14680 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 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
SCHEMBL8363966 0.87 PPARG (0.71) PPARGPPARAMRGPRX4CACNA2D1NOTUM
SCHEMBL2073059 0.86 PPARG (0.69) PPARGPPARAMRGPRX4CACNA2D1NOTUM
SCHEMBL2073068 0.86 PPARG (0.69) PPARGPPARAMRGPRX4CACNA2D1NOTUM
SCHEMBL2073061 0.85 PPARG (0.56) PPARGPPARAMRGPRX4CACNA2D1NOTUM
SCHEMBL10722909 0.84 PPARG (0.74) PPARGPPARAARALDH2
SCHEMBL11128812 0.75 GAA (0.53) MRGPRX4NOTUMPORCNCYP3A4
SCHEMBL8358819 0.75 KDM4E (0.48) PPARGPPARAMRGPRX4CACNA2D1NOTUM
SCHEMBL6482624 0.74 PPARG (0.49) PPARGPPARAMRGPRX4CACNA2D1NOTUM
SCHEMBL6482619 0.74 PPARG (0.49) PPARGPPARAMRGPRX4CACNA2D1NOTUM
Ethyl Acetate SCHEMBL29093043 0.74 ALDH1A1 (0.48) MRGPRX4CCNCCDK8CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414456-B1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP disclosed
EP-1414456-B1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP disclosed
US-7902223-B2 For therapy and prophylaxis of thromboses, myocardial infarction, arteriosclerosis, inflammation, apoplexia, angina pectoris, restenosis after angioplasty, claudicatio intermittens, migraine, tumours, tumour diseases and/or tumour metastases MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
US-7902223-B2 For therapy and prophylaxis of thromboses, myocardial infarction, arteriosclerosis, inflammation, apoplexia, angina pectoris, restenosis after angioplasty, claudicatio intermittens, migraine, tumours, tumour diseases and/or tumour metastases MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
US-7902223-B2 For therapy and prophylaxis of thromboses, myocardial infarction, arteriosclerosis, inflammation, apoplexia, angina pectoris, restenosis after angioplasty, claudicatio intermittens, migraine, tumours, tumour diseases and/or tumour metastases MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
US-20040235828-A1 Phenyl derivatives as factor XA Inhibitors MERCK PATENTGESELLSCHAFT (DE) 2004-11-25 US disclosed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 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-20040235828-A1 Phenyl derivatives as factor XA Inhibitors F11, F2, F12 PPARG 2943/4885PPARA 3586/4885MRGPRX4 786/4885

“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.