SCHEMBL367774

SCHEMBL367774

CCc1sccc1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.39
LTB4R Q15722 6/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
PTGS2 P35354 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SRC P12931 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL4600787 0.86 PTGDR2 (0.41) AKR1B1LTB4RPTGDR2TP53ALOX15
SCHEMBL10424599 0.86 AKR1B1 (0.43) AKR1B1LTB4RPTGDR2KEAP1NFE2L2
Carbamic Acid SCHEMBL9006901 0.82 ALOX5 (0.42) LTB4RKEAP1TP53ALOX15MAPK1
SCHEMBL1709256 0.81
Carbamic Acid SCHEMBL10511096 0.81 ALOX5 (0.41) LTB4RTP53ALOX15MAPK1KMT2A
SCHEMBL11636866 0.81 KEAP1 (0.40) AKR1B1LTB4RPTGDR2KEAP1NFE2L2
SCHEMBL5057664 0.81 KMT2A (0.46) AKR1B1PTGDR2PTGS2KEAP1NFE2L2
SCHEMBL6065611 0.80 LTB4R (0.51) LTB4RHSD17B10ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL29003993 0.79 KEAP1 (0.34) LTB4RKEAP1ALDH1A1ALOX5
SCHEMBL10888140 0.78 LTB4R (0.43) LTB4RPTGDR2TP53ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787579-B2 Sensors and separation based on molecular recognition via electropolymerization and colloidal layer templates UNIVERSITY OF HOUSTON SYSTEM (US) 2020-09-29 US disclosed
CN-107216445-B Nano composite and preparation method and application thereof 南京大学 2020-02-21 CN disclosed
US-20140349176-A1 ADDITIVE FOR ELECTROLYTE, ELECTROLYTE AND RECHARGEABLE LITHIUM BATTERY SAMSUNG SDI CO., LTD. (KR) 2014-11-27 US disclosed
US-20120263922-A1 SENSORS AND SEPARATION BASED ON MOLECULAR RECOGNITION VIA ELECTROPOLYMERIZATION AND COLLOIDAL LAYER TEMPLATES THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-10-18 US disclosed
WO-2012009239-A2 SENSORS AND SEPARATION BASED ON MOLECULAR RECOGNITION VIA ELECTROPOLYMERIZATION AND COLLOIDAL LAYER TEMPLATES THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-01-19 WO disclosed
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 US disclosed
US-7321012-B2 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom THE UNIVERSITY OF CONNECTICUT (US) 2008-01-22 US disclosed
US-7217295-B2 Use of soluble conductive polymers for treating human keratin fibers L'OREAL S.A. (FR) 2007-05-15 US disclosed
US-20060237696-A1 Composition comprising at least one electrophilic monomer and at least one conductive polymer, and cosmetic processes for treating keratin fibers L'OREAL S.A. (FR) 2006-10-26 US disclosed
US-7091230-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20030171588-A1 1,2-disubstituted-6-oxo-3-phenyl-piperidine-3-carboxamides and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-09-11 US disclosed
EP-1301517-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-6528653-B2 E.g., 4,6-dihydro 4-(heterocyclic ring-methylene)thieno(2,3-b) pyrrolidin-5-one derivatives; tumor necrosis factor ) inhibitors; anticarcinogenic, -proliferative and -arthritic agents; Alzheimer's disease; cardiovascular disorders HOFFMANN-LA ROCHE, INC. 2003-03-04 US disclosed
WO-2002064094-A2 2-ARYLOXY-2-ARYLALKANOIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
US-20020028841-A1 Thienopyrrolidinones F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 US disclosed
WO-2002002567-A1 THIENOPYRROLIDINONES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 WO disclosed
US-6048875-A CARDIOVASCULAR DISORDERS; REDUCING THROMBOSIS ADIR ET COMPAGNIE (FR) 2000-04-11 US disclosed
US-5536573-A FOR MULTILAYER THIN FILMS CONTAINING LAYERS OF DIFFERENT CONDUCTING POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1996-07-16 US disclosed
US-5518767-A P-DOPED CONJUGATED POLYMER MONOLAYER WITH POLYANION BOUND ELECTROSTATICALLY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1996-05-21 US disclosed
WO-1995002251-A2 MOLECULAR SELF-ASSEMBLY OF ELECTRICALLY CONDUCTIVE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1995-01-19 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 (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-20030171588-A1 1,2-disubstituted-6-oxo-3-phenyl-piperidine-3-carboxamides and combinatorial libraries thereof BRD4, BICRA, HDAC6 AKR1B1 4552/4885LTB4R 3146/4885PTGDR2 2837/4885
US-20020028841-A1 Thienopyrrolidinones TNF, TYMP, TNFRSF1A AKR1B1 1478/4885LTB4R 172/4885PTGDR2 28/4885

“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.