SCHEMBL5883556

SCHEMBL5883556

Cc1cccc(C(=O)CCl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
GSK3B P49841 1/20 0.57
HIF1A Q16665 1/20 0.57
PARP1 P09874 1/20 0.57
CTNNB1 P35222 3/20 0.54
WNT3A P56704 3/20 0.54
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL30954404 1.00 TRPA1 (0.57) TRPA1ALDH1A1MAPK1GSK3BHIF1A
SCHEMBL11382023 0.85 CTNNB1 (0.58) ALDH1A1PARP1CTNNB1WNT3AHDAC8
SCHEMBL29456641 0.83 MEN1 (0.64) MAPK1PARP1CTNNB1WNT3AHDAC8
SCHEMBL28728190 0.83 MEN1 (0.64) MAPK1PARP1CTNNB1WNT3AHDAC8
SCHEMBL30089541 0.83 CTNNB1 (0.70) PARP1CTNNB1WNT3AHDAC8HDAC6
SCHEMBL29062364 0.83 CTNNB1 (0.70) PARP1CTNNB1WNT3AHDAC8HDAC6
SCHEMBL7705580 0.82 CTNNB1 (0.55) PARP1CTNNB1WNT3AHDAC8HDAC6
SCHEMBL634002 0.82 HPGD (0.59) ALDH1A1PARP1CTNNB1WNT3AHDAC8
SCHEMBL910158 0.82 HPGD (0.59) PARP1CTNNB1WNT3AHDAC8HDAC6
SCHEMBL29639747 0.82 HPGD (0.59) PARP1CTNNB1WNT3AHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348394-A1 COMPOSITIONS AND METHODS FOR TREATING MUSCULAR DYSTROPHIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-02 US disclosed
US-20230348394-A1 COMPOSITIONS AND METHODS FOR TREATING MUSCULAR DYSTROPHIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-02 US disclosed
US-20150329501-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2015-11-19 US disclosed
CN-103449946-B Preparation method of alpha-monochlorinated ketone compound UNIV HUANGSHAN 2015-01-14 CN disclosed
CN-103449946-A Preparation method of alpha-monochlorinated ketone compound UNIV HUANGSHAN 2013-12-18 CN disclosed
CN-101600700-B Novel 2-amino oxazolines as TAAR1 ligands for CNS disorders HOFFMANN LA ROCHE 2013-08-21 CN disclosed
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
US-7960526-B2 Colorimetric-oxycarbonyl protecting groups for use in organic syntheses BERRY AND ASSOCIATES, INC. (US) 2011-06-14 US disclosed
CN-1944415-B Benzo[b]thiophene derivatives and preparing method TEIJIN PHARMA LTD 2011-04-13 CN disclosed
US-20100249393-A1 COLORIMETRIC-OXYCARBONYL PROTECTING GROUPS FOR USE IN ORGANIC SYNTHESES BERRY AND ASSOCIATES, INC. (US) 2010-09-30 US disclosed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 US disclosed
EP-1276739-A2 HETEROCYCLES THAT ARE INHIBITORS OF IMPDH ENZYME Bristol-Myers Squibb Company (US) 2003-01-22 EP disclosed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2001081340-A2 HETEROCYCLES THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-01 WO disclosed
CN-1245487-A Herbicidal 3-aminocarbonyl-or 3-aminothiocarbonyl-substituted 2-benzoylcyclohexane-1, 3-diones BASF AG (DE) 2000-02-23 CN disclosed
EP-0493617-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE (-)-2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL KANEGAFUCHI CHEMICAL IND (JP) 1999-10-06 EP disclosed
US-4631280-A Pyridazine derivatives having a psychotropic action, and medicaments in which they are present SANOFI (FR) 1986-12-23 US disclosed
US-4565814-A Pyridazine derivatives having a psychotropic action and compositions SANOFI (FR) 1986-01-21 US disclosed
US-3988375-A HERBICIDES MONSANTO COMPANY (US) 1976-10-26 US 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-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A TRPA1 550/4885ALDH1A1 439/4885MAPK1 3195/4885
US-20230348394-A1 COMPOSITIONS AND METHODS FOR TREATING MUSCULAR DYSTROPHIES TNNC1, PYGM, GYS1 TRPA1 4672/4885ALDH1A1 3470/4885MAPK1 4580/4885
US-20100249393-A1 COLORIMETRIC-OXYCARBONYL PROTECTING GROUPS FOR USE IN ORGANIC SYNTHESES RNGTT, OGA, HCCS TRPA1 4523/4885ALDH1A1 1908/4885MAPK1 1457/4885
US-20150329501-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES CYP51A1, CYP4B1, CYP1B1 TRPA1 1390/4885ALDH1A1 228/4885MAPK1 2466/4885

“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.