SCHEMBL13149102

SCHEMBL13149102

CCC(CC(C)c1ccc(CCl)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.46
TAAR1 Q96RJ0 3/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
AOC3 Q16853 2/20 0.36
LMNA P02545 1/20 0.35
RIPK1 Q13546 1/20 0.35
CCR5 P51681 1/20 0.35
SLC7A5 Q01650 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL14495228 1.00 TRPA1 (0.46) TRPA1TAAR1ESR1ESR2AOC3
SCHEMBL29770077 0.88 TRPA1 (0.38) TRPA1TAAR1ESR1ESR2SLC7A5
SCHEMBL6285816 0.86 TRPA1 (0.58) TRPA1TAAR1AOC3LMNARIPK1
SCHEMBL12193635 0.86 TRPA1 (0.36) TRPA1ESR1ESR2LMNA
SCHEMBL19420710 0.86 ESR1 (0.40) TRPA1ESR1ESR2
SCHEMBL14076955 0.84 TRPA1 (0.46) TRPA1TAAR1ESR1ESR2AOC3
SCHEMBL19820892 0.83 TRPA1 (0.49) TRPA1TAAR1AOC3
SCHEMBL18062416 0.83 TRPA1 (0.55) TRPA1TAAR1AOC3LMNARIPK1
SCHEMBL19420712 0.82 TRPA1 (0.39) TRPA1ESR1ESR2
SCHEMBL12013104 0.81 TAAR1 (0.44) TRPA1TAAR1ESR1ESR2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010836-B Electrochromic polymer, nano particle and device 吉林大学 2023-09-08 CN disclosed
CN-115010836-A Electrochromatic polymer, nano particles and device 吉林大学 2022-09-06 CN disclosed
US-20180171495-A1 Ion-Conducting Membranes U.S. DEPARTMENT OF ENERGY 2018-06-21 US disclosed
US-9957624-B2 Electrochemical devices comprising novel catalyst mixtures DIOXIDE MATERIALS, INC. (US) 2018-05-01 US disclosed
US-20180111083-A1 Devices For Electrocatalytic Conversion Of Carbon Dioxide UNITED STATES DEPARTMENT OF ENERGY 2018-04-26 US disclosed
US-9945040-B2 Catalyst layers and electrolyzers DIOXIDE MATERIALS, INC. (US) 2018-04-17 US disclosed
US-9849450-B2 Ion-conducting membranes DIOXIDE MATERIALS, INC. (US) 2017-12-26 US disclosed
US-9849450-B2 Ion-conducting membranes DIOXIDE MATERIALS, INC. (US) 2017-12-26 US disclosed
US-9815021-B2 Electrocatalytic process for carbon dioxide conversion DIOXIDE MATERIALS, INC. (US) 2017-11-14 US disclosed
US-9815021-B2 Electrocatalytic process for carbon dioxide conversion DIOXIDE MATERIALS, INC. (US) 2017-11-14 US disclosed
US-20160107154-A1 Ion-Conducting Membranes UNITED STATES DEPARTMENT OF ENERGY 2016-04-21 US disclosed
US-20160107154-A1 Ion-Conducting Membranes UNITED STATES DEPARTMENT OF ENERGY 2016-04-21 US disclosed
US-20160108530-A1 Electrochemical Device For Converting Carbon Dioxide To A Reaction Product ENERGY, UNITED STATES DEPARTMENT OF 2016-04-21 US disclosed
US-20160108530-A1 Electrochemical Device For Converting Carbon Dioxide To A Reaction Product ENERGY, UNITED STATES DEPARTMENT OF 2016-04-21 US disclosed
US-8674142-B2 Naphthenic hydrocarbon additives for diaryl phosphide salt formation PMC ORGANOMETALLIX, INC. (US) 2014-03-18 US disclosed
US-20100234642-A1 NAPHTHENIC HYDROCARBON ADDITIVES FOR DIARYL PHOSPHIDE SALT FORMATION ARKEMA INC. (US) 2010-09-16 US disclosed
US-7771891-B2 Ionic conductor, process for production thereof, and electrochemical device SONY CORPORATION (JP) 2010-08-10 US disclosed
US-7651803-B2 Ionic conductor, process for production thereof, and electrochemical device SONY CORPORATION (JP) 2010-01-26 US disclosed
US-20090105357-A1 IONIC CONDUCTOR, PROCESS FOR PRODUCTION THEREOF, AND ELECTROCHEMICAL DEVICE SONY CORPORATION (JP) 2009-04-23 US disclosed
US-20070092800-A1 IONIC CONDUCTOR, PROCESS FOR PRODUCTION THEREOF, AND ELECTROCHEMICAL DEVICE SONY CORPORATION (JP) 2007-04-26 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 (1 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-20100234642-A1 NAPHTHENIC HYDROCARBON ADDITIVES FOR DIARYL PHOSPHIDE SALT FORMATION TST, TEC, NPM1 TRPA1 88/4885TAAR1 240/4885ESR1 2201/4885

“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.