SCHEMBL2961734

SCHEMBL2961734

CC(C)=CCc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
AKR1C3 P42330 2/20 0.43
IDO1 P14902 3/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DHODH Q02127 1/20 0.39
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGXT P21549 2/20 0.38
GGPS1 O95749 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
SCHEMBL2812304 0.81 TRPA1 (0.48) TRPA1AKR1C3DHODHGGPS1
SCHEMBL17748389 0.81 TRPA1 (0.44) TRPA1AKR1C3CYP1A2DHODHGGPS1
SCHEMBL1153975 0.81 MAOA (0.50) TRPA1TAAR1DHODH
SCHEMBL10829368 0.81 TRPA1 (0.44) TRPA1IDO1CYP2A6TAAR1GGPS1
SCHEMBL27930015 0.80 TRPA1 (0.40) TRPA1AKR1C3IDO1CYP1A2CYP2A6
SCHEMBL6547231 0.80 TRPA1 (0.40) TRPA1IDO1TDP1
SCHEMBL11128804 0.79 TRPA1 (0.42) TRPA1IDO1CYP2A6TAAR1GGPS1
SCHEMBL11052769 0.79 SLC6A2 (0.43) TRPA1IDO1TAAR1
SCHEMBL7757758 0.79 TRPA1 (0.42) TRPA1AKR1C3CYP1A2DHODHGGPS1
SCHEMBL1586710 0.78 MAOB (0.52) TRPA1AKR1C3CYP1A2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776975-B2 Aqueous polymerization process for preparing an aqueous polymer dispersion ROHM AND HAAS COMPANY (US) 2010-08-17 US claimed
EP-1135352-A1 PROCESS FOR PREPARING 2,6-DIMETHYLNAPHTHALENE Optatech Corporation (FI) 2001-09-26 EP claimed
WO-2000034212-A1 PROCESS FOR PREPARING 2,6-DIMETHYLNAPHTHALENE OPTATECH CORPORATION (FI) 2000-06-15 WO claimed
EP-0886632-A1 PREPARATION OF DIMETHYLNAPHTHALENE BY CYCLIZATION Optatech Oy (FI) 1998-12-30 EP claimed
WO-1997030012-A1 PREPARATION OF DIMETHYLNAPHTHALENE BY CYCLIZATION OPTATECH OY (FI) 1997-08-21 WO claimed
EP-0362507-B1 Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL CO (JP) 1993-12-08 EP claimed
US-5008479-A Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-04-16 US claimed
EP-0362507-A2 Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-04-11 EP claimed
JP-4095035-A None JP disclosed
WO-2016146689-A1 ORGANOZINC REAGENTS AND PROCESSES FOR PREPARING AND USING THE SAME LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2016-09-22 WO disclosed
EP-3070083-A1 Organozinc reagents and processes for preparing and using the same Ludwig-Maximilians-Universität München (DE) 2016-09-21 EP disclosed
US-9309188-B2 Method for allylating and vinylating aryl, heteroaryl, alkyl, and alkene halogenides using transition metal catalysis Saitigo GmbH (DE) 2016-04-12 US disclosed
US-20130184485-A1 Method for Allylating and Vinylating Aryl, Heteroaryl, Alkyl, and Alkene Halogenides Using Transition Metal Catalysis SALTIGO GMBH (DE) 2013-07-18 US disclosed
US-7776975-B2 Aqueous polymerization process for preparing an aqueous polymer dispersion ROHM AND HAAS COMPANY (US) 2010-08-17 US disclosed
EP-0362507-B1 Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL CO (JP) 1993-12-08 EP disclosed
WO-1993006067-A1 A PROCESS FOR THE PRODUCTION OF 2,6-DIMETHYLDECALIN CATALYTICA, INC. (US) 1993-04-01 WO disclosed
JP-H0495035-A PRODUCTION OF 2,6-DIMETHYLNAPHTHALENE MITSUBISHI GAS CHEM CO INC 1992-03-27 JP disclosed
US-5008479-A Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-04-16 US disclosed
EP-0362507-A2 Process for production of 2,6-dimethylnaphthalene MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-04-11 EP disclosed
US-3931348-A RHENIUM OXIDE CYCLIZATION DEHYDROGENATION CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JA) 1976-01-06 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-20130184485-A1 Method for Allylating and Vinylating Aryl, Heteroaryl, Alkyl, and Alkene Halogenides Using Transition Metal Catalysis VRK2, VRK1, GRK1 TRPA1 3356/4885AKR1C3 510/4885IDO1 487/4885

“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.