SCHEMBL3544993

SCHEMBL3544993

C=CCOc1ccc(C(=O)OC)cc1CC=C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
PTGDR Q13258 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
PTPN1 P18031 3/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
ELANE P08246 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PDE4B Q07343 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL31371336 0.89 KDM4E (0.51) KDM4EMAPTALDH1A1PDE4BMAPK1
SCHEMBL3542900 0.87 PTPN1 (0.57) PTPN1MAPTELANEL3MBTL1
SCHEMBL9525514 0.86 KDM4E (0.50) KDM4EPTGDRPTGDR2PTPN1ELANE
SCHEMBL10342907 0.84 KDM4E (0.48) KDM4EPTGDRPTGDR2PTPN1MAPT
SCHEMBL1608087 0.83 ALOX5 (0.56) KDM4EPTPN1MAPTELANEALDH1A1
SCHEMBL3547607 0.83 KDM4E (0.72) KDM4EMAPTALDH1A1PDE4BMAPK1
SCHEMBL19125971 0.83 KDM4E (0.64) KDM4EMAPTALDH1A1PDE4BMAPK1
SCHEMBL10091839 0.83 KDM4E (0.53) KDM4EMAPTALDH1A1PDE4BL3MBTL1
SCHEMBL31385470 0.82 KDM4E (0.45) KDM4EMAPTALDH1A1PDE4BMAPK1
SCHEMBL5987282 0.82 KDM4E (0.52) KDM4EMAPTALDH1A1PDE4BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 WO disclosed
EP-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 EP disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 US disclosed
US-5374638-A Cardiovascular disorders, hypotensive agents MERCK & CO., INC. (US) 1994-12-20 US disclosed
WO-1994021255-A1 SIX-MEMBERED RING FUSED IMIDAZOLES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
US-5334598-A Have endothelin antagonist activity; useful in treating cardiovascular disorders, hypertension, inflammatory diseases and asthma MERCK & CO., INC. (US) 1994-08-02 US disclosed
US-5246944-A Hypotensive and anxiolytic agents; antidepressants MERCK & CO., INC. (US) 1993-09-21 US disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 US disclosed
EP-0527534-A1 Quinoline and azaquinoline angiotensin II antagonists MERCK & CO. INC. (US) 1993-02-17 EP disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 EP disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE KDM4E 2323/4885PTGDR 4331/4885PTGDR2 4290/4885

“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.