SCHEMBL5855165

SCHEMBL5855165

CC=CC(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.45
TAAR1 Q96RJ0 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL5855141 1.00 TRPA1 (0.45) TRPA1TAAR1MEN1KMT2AATM
SCHEMBL28366839 0.84 TRPA1 (0.41) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL15914233 0.80 TRPA1 (0.45) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL31028945 0.79 MEN1 (0.41) TAAR1MEN1KMT2AATMADRA2A
SCHEMBL21331657 0.79 TRPA1 (0.50) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL185170 0.79 TRPA1 (0.50) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL7449638 0.78 TRPA1 (0.44) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL10446345 0.78 CHRNA7 (0.39) MEN1KMT2AATMALDH1A1
SCHEMBL4071497 0.78 TRPA1 (0.48) TRPA1TAAR1MEN1KMT2AADRA2A
SCHEMBL6014583 0.78 TRPA1 (0.44) TRPA1TAAR1ADRA2AADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034796-B1 Poly(arylamine)s and uses thereof CORNELL UNIVERSITY (US) 2021-06-15 US disclosed
CN-109749230-A A kind of earphone shell material and preparation method thereof 贵州翔音电子科技有限公司 2019-05-14 CN disclosed
EP-2984055-B1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA INC (US) 2018-10-17 EP disclosed
US-9758445-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-09-12 US disclosed
US-9663459-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-05-30 US disclosed
US-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-06-30 US disclosed
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-05-26 US disclosed
EP-2984055-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS Materia, Inc. (US) 2016-02-17 EP disclosed
WO-2015126462-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. (US) 2015-08-27 WO disclosed
WO-2014169080-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. (US) 2014-10-16 WO disclosed
CN-1643217-A Slipping property imparting agent for clear coating and clear coating paper having the agent applied thereon JUJO PAPER CO LTD (JP) 2005-07-20 CN disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed
US-5401892-A Catalytic cyclization AMOCO CORPORATION (US) 1995-03-28 US disclosed
EP-0351074-B1 Preparation of a dimethyltetralin AMOCO CORP (US) 1994-09-07 EP disclosed
EP-0589490-A1 Dimethylnaphthalene isomerization AMOCO CORPORATION (US) 1994-03-30 EP disclosed
US-5073670-A Preparation of a dimethyltetralin AMOCO CORPORATION (US) 1991-12-17 US disclosed
US-4950825-A CATALYTIC CYCLIZATION OF 5-TOLYL-(OR PHENYL-) PENT(HEX)-1 OR 2-ENE USING ZEOLITE CATALYST AMOCO CORPORATION (US) 1990-08-21 US disclosed
EP-0351074-A1 Preparation of a dimethyltetralin AMOCO CORPORATION (US) 1990-01-17 EP disclosed
US-3946081-A OXIDATION CATALYSTS, GROUP V, VI, OR VII OXIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 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 (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-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, EPHX2, SMURF1 TRPA1 1614/4885TAAR1 3250/4885MEN1 3213/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 TRPA1 426/4885TAAR1 2467/4885MEN1 3079/4885

“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.