SCHEMBL1249954

SCHEMBL1249954

NCc1ccc(OCC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.61
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
FFAR1 O14842 1/20 0.55
PTPN7 P35236 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
PTPN12 Q05209 1/20 0.53
MAOB P27338 1/20 0.52
TSHR P16473 2/20 0.50
TBXAS1 P24557 2/20 0.50
PTPRC P08575 1/20 0.50
PTPN1 P18031 1/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
PPP1CC P36873 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
Hydrochloric Acid SCHEMBL3605426 0.98 ALOX15 (0.59) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
Acetic Acid SCHEMBL2851045 0.94 ALOX15 (0.55) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL339492 0.85 ALOX15 (0.81) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL4432054 0.85 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL11216007 0.84 MEN1 (0.49) MEN1MAPTKMT2AMAOBTBXAS1
SCHEMBL12801896 0.83 EPHX2 (0.72) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL11216005 0.82 MAOB (0.46) MAOB
SCHEMBL2936246 0.82 PPARA (0.60) ALOX15FFAR1PTPN7PPARG
SCHEMBL29403718 0.82 PPARA (0.60) ALOX15FFAR1PTPN7PPARG
SCHEMBL11332779 0.82 ALOX15 (0.53) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611692-B2 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2009-11-03 US claimed
EP-2320954-B1 DIAGNOSTIC AGENTS SELECTIVE AGAINST METALLOPROTEASES BRACCO IMAGING SPA (IT) 2019-09-04 EP disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9480758-B2 Diagnostic agents selective against metalloproteases BRACCO IMAGING S.P.A. (IT) 2016-11-01 US disclosed
US-9480758-B2 Diagnostic agents selective against metalloproteases BRACCO IMAGING S.P.A. (IT) 2016-11-01 US disclosed
US-9409951-B2 Integrin targeted synthetic ligands for diagnostic and therapeutic applications BRACCO IMAGING S.P.A. (IT) 2016-08-09 US disclosed
US-9409951-B2 Integrin targeted synthetic ligands for diagnostic and therapeutic applications BRACCO IMAGING S.P.A. (IT) 2016-08-09 US disclosed
EP-1853605-B1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING SPA (IT) 2014-09-10 EP disclosed
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2014-06-26 US disclosed
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2014-06-26 US disclosed
EP-1654247-A1 ALKYNYL ARYL CARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005011685-A1 ARYL DICARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed
WO-2005012280-A1 ALKYNYL ARYL CARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-02-10 WO disclosed
US-20050004111-A1 Degenerative joints disease; osteoarthritis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-06 US disclosed
EP-0278911-B1 BICYCLIC BETA-LACTAM CARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1993-08-04 EP disclosed
US-4965260-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1990-10-23 US disclosed
EP-0278911-A1 Bicyclic beta-lactam carboxylic acids CIBA-GEIGY AG (CH) 1988-08-17 EP disclosed
EP-0004011-B1 PHENOXYALKYLCARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-04-01 EP disclosed
US-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 US disclosed
EP-0004011-A1 Phenoxyalkylcarboxylic-acid derivatives, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1979-09-19 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 (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-20050004111-A1 Degenerative joints disease; osteoarthritis MMP13, ADAMTS13, DPYD ALOX15 1640/4885ALDH1A1 226/4885SMN1; SMN2 2629/4885
US-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS ITGA2B, ITGB2, ITGB1 ALOX15 4513/4885ALDH1A1 3450/4885SMN1; SMN2 3277/4885

“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.