SCHEMBL8949522

SCHEMBL8949522

COC(=O)c1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.80
CA2 P00918 4/20 0.80
CA12 O43570 1/20 0.80
CA7 P43166 1/20 0.80
CA9 Q16790 1/20 0.80
CA14 Q9ULX7 1/20 0.80
PARP10 Q53GL7 1/20 0.60
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 4/20 0.58
LTA4H P09960 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ESR2 Q92731 2/20 0.56
ESR1 P03372 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
STS P08842 1/20 0.53
TSHR P16473 2/20 0.52
HPGD P15428 2/20 0.52

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
SCHEMBL2187179 1.00 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL69218 0.92 CA1 (0.75) CA1CA2CA12CA7CA9
Methylparaben SCHEMBL321534 0.89 CA1 (1.00) CA1CA2CA12CA7CA9
Methylparaben SCHEMBL4440 0.89 CA1 (1.00) CA1CA2CA12CA7CA9
Methyl 4-Methoxybenzoate SCHEMBL8374556 0.88 CA1 (0.84) CA1CA2CA12CA7CA9
Methylparaben SCHEMBL8779118 0.87 CA1 (0.95) CA1CA2CA12CA7CA9
Methylparaben SCHEMBL16029235 0.87 CA1 (0.95) CA1CA2CA12CA7CA9
Methylparaben SCHEMBL21274302 0.87 CA1 (0.95) CA1CA2CA12CA7CA9
Methylparaben SCHEMBL6315862 0.87 CA1 (0.95) CA1CA2CA12CA7CA9
Methylparaben SCHEMBL475867 0.87 CA1 (0.95) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748621-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2014-06-10 US disclosed
US-8748621-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2014-06-10 US disclosed
US-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ADDEX PHARMA, S.A. (CH) 2012-12-06 US disclosed
US-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ADDEX PHARMA, S.A. (CH) 2012-12-06 US disclosed
US-8252937-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2012-08-28 US disclosed
US-8252937-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2012-08-28 US disclosed
CN-101848893-B 1,3-disubstituted 4-(aryl-x-phenyl)-1h-pyridin-2-ones ADDEX PHARMACEUTICALS SA 2012-06-06 CN disclosed
EP-2200985-B1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO MCNEIL JANSSEN PHARM (US) 2011-07-13 EP disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
WO-2009033702-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed
US-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 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-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES GRM2, GRM1, GRM3 CA1 4254/4885CA2 1717/4885CA12 4713/4885
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES GRM2, GRM1, GRM3 CA1 4254/4885CA2 1717/4885CA12 4713/4885

“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.