SCHEMBL853486

SCHEMBL853486

O=C(O)C=Cc1cccc(CO)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 3/20 0.60
PKM P14618 2/20 0.60
HDAC4 P56524 3/20 0.59
HDAC3 O15379 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
TNKS O95271 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
TNKS2 Q9H2K2 1/20 0.59
EGFR P00533 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL853485 1.00 NPSR1 (0.61) NPSR1KDM4EALDH1A1PKMHDAC4
SCHEMBL22070543 0.86 CYP4F2 (0.58) NPSR1KDM4EALDH1A1PKMHDAC4
SCHEMBL14924014 0.86 TRPV1 (0.47) NPSR1KDM4EALDH1A1PKMHDAC4
SCHEMBL15026335 0.86 NPSR1 (0.49) NPSR1KDM4EALDH1A1PKMHDAC4
SCHEMBL28068831 0.85 MAOB (0.64) ALDH1A1PKMHDAC4HDAC3HDAC1
SCHEMBL28068830 0.85 MAOB (0.64) ALDH1A1PKMHDAC4HDAC3HDAC1
SCHEMBL69146 0.84 NPSR1 (0.74) NPSR1KDM4EALDH1A1PKMHDAC4
SCHEMBL271386 0.84 NPSR1 (0.74) NPSR1KDM4EALDH1A1PKMHDAC4
SCHEMBL4210529 0.84 KDM4E (0.59) NPSR1KDM4EALDH1A1PKMHDAC4
SCHEMBL3557934 0.84 KDM4E (0.59) NPSR1KDM4EALDH1A1PKMHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
EP-2432768-B1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-07-05 EP disclosed
EP-2295410-B1 HDAC inhibitor GLAXOSMITHKLINE IP DEV LTD (GB) 2017-03-15 EP disclosed
US-9533978-B2 Pyrimidine derivatives and their use in the treatment of cancer and further diseases SUMITOMO DAINIPPON PHARMA CO., LTD (JP) 2017-01-03 US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 US disclosed
EP-2888256-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Board of Regents, The University of Texas System (US) 2015-07-01 EP disclosed
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2015-03-19 US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 US disclosed
WO-2012025701-A1 ALPHA, ALPHA - DI SUBSTITUTED GLYCINE ESTER DERIVATIVES AND THEIR USE AS HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-03-01 WO disclosed
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed
WO-2010133885-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES ASTRAZENECA AB (SE) 2010-11-25 WO disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
EP-2069291-A1 HDAC INHIBITORS Chroma Therapeutics Limited (GB) 2009-06-17 EP disclosed
WO-2009018344-A1 ANTICANCER AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2009-02-05 WO disclosed
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 WO disclosed
EP-0142324-B1 PHENYLALKANOIC ACID DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-04 EP disclosed
US-4668698-A [(4-phenyl-1,3-dioxan-cis-5-yl)alkyl]phenylalkanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-26 US disclosed
EP-0142324-A2 Phenylalkanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-05-22 EP 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 (4 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-20140323531-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 NPSR1 2453/4885KDM4E 71/4885ALDH1A1 626/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 NPSR1 2471/4885KDM4E 71/4885ALDH1A1 634/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 NPSR1 2811/4885KDM4E 78/4885ALDH1A1 638/4885
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases TYMS, TYMP, DPYD NPSR1 2520/4885KDM4E 2382/4885ALDH1A1 339/4885

“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.