SCHEMBL280631

SCHEMBL280631

Cc1ccc(C(C)O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.50
TRPA1 O75762 1/20 0.46
PTGS1 P23219 1/20 0.46
CACNA1C Q13936 1/20 0.46
LMNA P02545 3/20 0.43
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 5/20 0.39
ALDH1A1 P00352 1/20 0.39
NOX1 Q9Y5S8 1/20 0.38
RECQL P46063 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL28001830 1.00 UGT2B7 (0.50) UGT2B7TRPA1PTGS1CACNA1CLMNA
SCHEMBL29403039 0.82 TRPA1 (0.43) TRPA1PTGS1CACNA1CLMNATP53
SCHEMBL14182599 0.82 TRPA1 (0.43) TRPA1PTGS1CACNA1CLMNATP53
SCHEMBL822085 0.82 TRPA1 (0.43) TRPA1PTGS1CACNA1CLMNATP53
SCHEMBL172412 0.81 TDP1 (0.50) UGT2B7TRPA1PTGS1CACNA1CLMNA
SCHEMBL1926385 0.79 AKR1C3 (0.49) UGT2B7TRPA1PTGS1CACNA1CLMNA
SCHEMBL13711036 0.79 UGT2B7 (0.45) UGT2B7TRPA1PTGS1CACNA1CLMNA
SCHEMBL13254985 0.79 TDP1 (0.48) UGT2B7TRPA1PTGS1CACNA1CLMNA
SCHEMBL14966985 0.79 UGT2B7 (0.45) UGT2B7TRPA1PTGS1CACNA1CLMNA
SCHEMBL20488728 0.79 AKR1C3 (0.49) UGT2B7TRPA1PTGS1CACNA1CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111141849-B Liquid phase detection separation method for positional isomer of dexmedetomidine initial raw material 江苏开元药业有限公司 2023-11-03 CN claimed
CN-113325096-B Detection method of 1- (2,3-dimethylphenyl) ethanol related substances 石家庄四药有限公司 2022-12-13 CN claimed
CN-113325096-A Detection method of 1- (2, 3-dimethylphenyl) ethanol related substances 石家庄四药有限公司 2021-08-31 CN claimed
CN-111141849-A Liquid phase detection and separation method for positional isomer of dexmedetomidine starting material 江苏开元药业有限公司 2020-05-12 CN claimed
CN-111141849-B Liquid phase detection separation method for positional isomer of dexmedetomidine initial raw material 江苏开元药业有限公司 2023-11-03 CN disclosed
CN-113325096-B Detection method of 1- (2,3-dimethylphenyl) ethanol related substances 石家庄四药有限公司 2022-12-13 CN disclosed
CN-113325096-A Detection method of 1- (2, 3-dimethylphenyl) ethanol related substances 石家庄四药有限公司 2021-08-31 CN disclosed
CN-111141849-A Liquid phase detection and separation method for positional isomer of dexmedetomidine starting material 江苏开元药业有限公司 2020-05-12 CN disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
CN-104311392-A Synthesis of R-1-(3, 4-dimethylphenyl) ethanol and ester thereof WANG TONGJUN 2015-01-28 CN disclosed
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 US disclosed
US-8133869-B2 And oxidized natural lignin phenols with a low molecular weigh; disinfecting, microbicidal, root growth enhancing activity Lopretti, Mary (UY) 2012-03-13 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080220974-A1 COMPOSITIONS CONTAINING POLY[BETA(1,4)-2-AMINO-2-DEOXYGLUCOPYRANOSE] OLIGOMERS IN A SOLUTION OF MODIFIED LIGNIN PHENOLS AND THEIR USES LOPRETTI MARY 2008-09-11 US disclosed
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 UGT2B7 755/4885TRPA1 4263/4885PTGS1 1695/4885
US-20080220974-A1 COMPOSITIONS CONTAINING POLY[BETA(1,4)-2-AMINO-2-DEOXYGLUCOPYRANOSE] OLIGOMERS IN A SOLUTION OF MODIFIED LIGNIN PHENOLS AND THEIR USES PGLS, PLOD1, DAO UGT2B7 463/4885TRPA1 1380/4885PTGS1 789/4885

“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.