SCHEMBL459291

SCHEMBL459291

O=C(O)C=Cc1ccccc1C=CC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.75
CA1 P00915 1/20 0.75
CA2 P00918 1/20 0.75
CA4 P22748 1/20 0.75
HDAC3 O15379 1/20 0.65
TNKS O95271 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC1 Q13547 1/20 0.65
HCAR2 Q8TDS4 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
TNKS2 Q9H2K2 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
HTT P42858 1/20 0.62
MAPT P10636 1/20 0.62

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
SCHEMBL69543 1.00 NFKB1 (0.75) NFKB1CA1CA2CA4HDAC3
SCHEMBL31197561 1.00 NFKB1 (0.75) NFKB1CA1CA2CA4HDAC3
Bromide SCHEMBL8376004 0.97 NFKB1 (0.72) NFKB1CA1CA2CA4HDAC3
Hydrochloric Acid SCHEMBL8374050 0.97 NFKB1 (0.72) NFKB1CA1CA2CA4HDAC3
SCHEMBL2313844 0.91 NFKB1 (0.64) NFKB1CA1CA2CA4HDAC3
SCHEMBL11121643 0.91 HCAR2 (0.75) NFKB1CA1CA2CA4HDAC3
SCHEMBL30451096 0.91 NFKB1 (0.64) NFKB1CA1CA2CA4HDAC3
SCHEMBL2313840 0.91 NFKB1 (0.64) NFKB1CA1CA2CA4HDAC3
SCHEMBL24284657 0.89 NFKB1 (0.62) NFKB1CA1CA2CA4HDAC3
SCHEMBL175543 0.89 NFKB1 (0.62) NFKB1CA1CA2CA4HDAC3

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 298 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237073-A1 Novel Polymorphs and Salts GLAXO GROUP LTD (GB) 2016-08-18 US claimed
EP-2614058-B1 POLYMORPHS AND SALTS OF N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-& xA;1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE GLAXOSMITHKLINE IP DEV LTD (GB) 2015-07-08 EP claimed
US-20140256721-A1 Novel Polymorphs and Salts GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-11 US claimed
EP-2614058-A1 POLYMORPHS AND SALTS OF N- [5- [4- (5- { [(2R,6S) -2, 6 - DIMETHYL - 4 -MORPHOLINYL]METHYL} - 1, 3 - OXAZOL - 2 - YL) - 1H- INDA ZOL-6-YL]-2- (METHYLOXY) - 3 - PYRIDINYL]METHANESULFONAMIDE GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP claimed
US-20130165441-A1 Novel Polymorphs and Salts GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US claimed
WO-2012032067-A1 POLYMORPHS AND SALTS OF N- [5- [4- (5- { [(2R,6S) -2, 6 - DIMETHYL - 4 -MORPHOLINYL] METHYL} - 1, 3 - OXAZOL - 2 - YL) - 1H- INDA ZOL-6-YL] -2- (METHYLOXY) - 3 - PYRIDINYL] METHANESULFONAMIDE GLAXO GROUP LIMITED (GB) 2012-03-15 WO claimed
US-7128972-B2 Wrinkled polyester particles BANK OF AMERICA, N.A., AS AGENT 2006-10-31 US claimed
EP-1336638-B1 Method of preparation of porous polyester particles EASTMAN KODAK CO (US) 2006-06-07 EP claimed
US-6780942-B2 PREPARING MIXTURE OF ORGANIC PHASE AND AQUEOUS PHASE COMPRISING AN UNSATURATED POLYESTER, A WATER IMMISCIBLE SOLVENT, AN ORGANIC-SOLUBLE ETHYLENICALLY UNSATURATED MONOMER, AND INITIATOR, EMULSIFYING, CROSSLINKING EASTMAN KODAK COMPANY 2004-08-24 US claimed
US-20040023027-A1 Wrinkled polyester particles EASTMAN KODAK COMPANY 2004-02-05 US claimed
WO-1989001006-A1 UNSATURATED POLYANHYDRIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-02-09 WO claimed
EP-0035886-B1 SOLID-STATE IMAGING DEVICE HAVING A COLOR FILTER ARRAY AND METHODS OF PREPARING SAME EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-11-27 EP claimed
US-4489131-A OXIDIZED POLYOLEFIN, POLYMERIC FILM FORMER, AND ORGANIC ACID; FOR REINFORCING POLYPROPYLENE OWENS-CORNING FIBERGLAS CORPORATION (US) 1984-12-18 US claimed
EP-0039472-B1 RADIATION-CROSSLINKABLE POLYESTERS AND POLYESTERETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-15 EP claimed
US-4451592-A Resin modification for glass fiber adherence OWENS-CORNING FIBERGLAS CORPORATION (US) 1984-05-29 US claimed
US-4448917-A POLYOLEFIN RESIN, SILANE, POLYMER FILM FORMER, ORGANIC ACID OWENS-CORNING FIBERGLAS CORPORATION (US) 1984-05-15 US claimed
US-4315978-A Solid-state color imaging device having a color filter array using a photocrosslinkable barrier EASTMAN KODAK COMPANY (US) 1982-02-16 US claimed
EP-0039472-A1 Radiation-crosslinkable polyesters and polyesterethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-11-11 EP claimed
EP-0035886-A2 Solid-state imaging device having a color filter array and methods of preparing same EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1981-09-16 EP claimed
US-4284710-A FROM DIEPOXIDE AND AROMATIC UNSATURATED DICARBOXYLIC ACID OR HYDROXY ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-08-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130165441-A1 Novel Polymorphs and Salts PRKDC, PRKACA, MAP3K20 NFKB1 1960/4885CA1 3614/4885CA2 977/4885
US-20160237073-A1 Novel Polymorphs and Salts PRKDC, PRKACA, MAP3K20 NFKB1 1960/4885CA1 3614/4885CA2 977/4885
US-20140256721-A1 Novel Polymorphs and Salts PRKDC, PRKACA, MAP3K20 NFKB1 1960/4885CA1 3614/4885CA2 977/4885

“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.