SCHEMBL339292

SCHEMBL339292

CC(C)c1ccc(-c2ccc(C(C)C)cc2O)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.67
PTGS1 P23219 1/20 0.67
CACNA1C Q13936 1/20 0.67
ALDH1A1 P00352 2/20 0.58
ALOX12 P18054 2/20 0.58
HTT P42858 2/20 0.58
HIF1A Q16665 2/20 0.58
GAA P10253 1/20 0.58
TYR P14679 3/20 0.57
LMNA P02545 3/20 0.56
RNASEH1 O60930 1/20 0.54
TDP1 Q9NUW8 5/20 0.48
KDM4E B2RXH2 5/20 0.48
MAPT P10636 4/20 0.48
ALOX15 P16050 2/20 0.48
MDM4 O15151 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL27498750 0.86 TRPA1 (0.57) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL25898933 0.86 PTGS1 (0.57) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL172232 0.84 TRPA1 (0.67) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL29362968 0.84 TRPA1 (0.67) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL11951626 0.83 ALOX5 (0.55) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL10593081 0.83 TRPA1 (0.53) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL11651790 0.82 TRPA1 (0.64) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL26225631 0.81 TRPA1 (0.52) TRPA1PTGS1CACNA1CALDH1A1ALOX12
Carvacrol SCHEMBL29544247 0.80 PTGS1 (1.00) TRPA1PTGS1CACNA1CALDH1A1ALOX12
Carvacrol SCHEMBL5326397 0.80 PTGS1 (1.00) TRPA1PTGS1CACNA1CALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315435-B2 Method for producing hydroxyphenylcyclohexanol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20150141707-A1 METHOD FOR PRODUCING HYDROXYPHENYLCYCLOHEXANOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-21 US disclosed
EP-2842930-A1 METHOD FOR PRODUCING HYDROXYPHENYLCYCLOHEXANOL COMPOUND Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
EP-2271651-B1 ISOTHERMAL PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS DOW GLOBAL TECHNOLOGIES LLC (US) 2014-01-01 EP disclosed
EP-2346887-B1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES DOW TECHNOLOGY INVESTMENTS LLC (US) 2013-12-25 EP disclosed
US-8546600-B2 Slurry process for synthesis of bisphosphites and situ use thereof for producing bisphosphite DOW TECHNOLOGY INVESTMENTS LLC 2013-10-01 US disclosed
EP-2257560-B1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS UNION CARBIDE CHEM PLASTIC (US) 2013-07-17 EP disclosed
US-8471066-B2 Slurry process for phosphoromonochloridite synthesis UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2013-06-25 US disclosed
US-8097749-B2 Isothermal process for phosphoromonochloridite synthesis Union Carbide Chemical and Plastics Technology Technology 2012-01-17 US disclosed
US-20110196166-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES AND SITU USE THEREOF FOR PRODUCING BISPHOSPHITE DOW TECHNOLOGY INVESTMENTS LLC 2011-08-11 US disclosed
EP-2346887-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES Dow Technology Investments LLC (US) 2011-07-27 EP disclosed
US-20110021840-A1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYTHESIS UNION CARBIDE CORPORATION 2011-01-27 US disclosed
EP-2271651-A1 ISOTHERMAL PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS Dow Global Technologies Inc. (US) 2011-01-12 EP disclosed
EP-2257560-A1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS Union Carbide Chemicals & Plastics Technology Llc (Formerly Union Carbide Chemicals & Plastics Technology Corporation) (US) 2010-12-08 EP disclosed
WO-2010042313-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES DOW TECHNOLOGY INVESTMENTS LLC (US) 2010-04-15 WO disclosed
WO-2009120210-A1 ISOTHERMAL PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-10-01 WO disclosed
US-20090247790-A1 ISOTHERMAL PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS UNION CARBIDE CORPORATION 2009-10-01 US disclosed
WO-2009120529-A1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (FORMERLY UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION) (US) 2009-10-01 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 (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-20150141707-A1 METHOD FOR PRODUCING HYDROXYPHENYLCYCLOHEXANOL COMPOUND HSD11B2, CYP21A2, CYP11B2 TRPA1 2672/4885PTGS1 420/4885CACNA1C 3391/4885
US-20090247790-A1 ISOTHERMAL PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS PIM3, PLCB3, PLCD1 TRPA1 1954/4885PTGS1 4108/4885CACNA1C 2592/4885
US-20110196166-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES AND SITU USE THEREOF FOR PRODUCING BISPHOSPHITE SOST, PLCB3, PPIP5K2 TRPA1 1876/4885PTGS1 3032/4885CACNA1C 1113/4885
US-20110021840-A1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYTHESIS PSPH, SPIN3, SYNGR2 TRPA1 895/4885PTGS1 2974/4885CACNA1C 2222/4885

“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.