SCHEMBL1610002

SCHEMBL1610002

[CH2]CCCc1cccc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
IDO1 P14902 2/20 0.52
HRH3 Q9Y5N1 3/20 0.49
ACHE P22303 1/20 0.44
DAO P14920 2/20 0.44
MAOB P27338 2/20 0.43
FDPS P14324 1/20 0.42
SLC5A2 P31639 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CTBP2 P56545 1/20 0.42
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL1609608 0.94 TAAR1 (0.57) TAAR1IDO1HRH3ACHEDAO
SCHEMBL1610915 0.92 TAAR1 (0.55) TAAR1IDO1HRH3ACHEDAO
SCHEMBL1610035 0.92 TAAR1 (0.55) TAAR1IDO1HRH3ACHEDAO
SCHEMBL1610691 0.92 TAAR1 (0.55) TAAR1IDO1HRH3ACHEDAO
SCHEMBL1611153 0.87 TAAR1 (0.63) TAAR1IDO1HRH3ACHEDAO
SCHEMBL8099771 0.87 TAAR1 (0.68) TAAR1IDO1HRH3ACHEDAO
SCHEMBL8092500 0.87 TAAR1 (0.68) TAAR1IDO1HRH3ACHEDAO
SCHEMBL8094389 0.85 TAAR1 (0.65) TAAR1IDO1HRH3ACHEDAO
SCHEMBL8093918 0.85 TAAR1 (0.65) TAAR1IDO1HRH3ACHEDAO
SCHEMBL8092438 0.85 TAAR1 (0.65) TAAR1IDO1HRH3ACHEDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems 2011-12-28 CN claimed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
CN-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 CN disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-1347952-A4 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2005-10-26 EP disclosed
EP-1026151-B1 Aryl and heteroarylcyclopropyl oxime ethers and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2005-03-16 EP disclosed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US disclosed
EP-0919545-A2 Benzyloxy substituted aromatics and their use as fungicides ROHM AND HAAS COMPANY (US) 1999-06-02 EP disclosed
US-5886015-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS OF THE SEED, PLANT OR SOIL ROHM AND HAAS COMPANY (US) 1999-03-23 US disclosed
US-5883125-A Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1999-03-16 US disclosed
EP-0889024-A1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1999-01-07 EP disclosed
EP-0860438-A1 Fluorine-containing diphenyl acrylamide antimicrobial agents Shenyang Research Institute of Chemical Industry (CN) 1998-08-26 EP disclosed
EP-0835865-A1 Dihydropyridazinones and pyridazinones and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1998-04-15 EP disclosed
EP-0811614-A1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1997-12-10 EP disclosed
EP-0811608-A1 Benzyloxy substituted aromatics containing an acrylyl moiety and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1997-12-10 EP disclosed
CN-1046527-A Novel aromatase inhibitor 4(5) -imidazoles FARMOS OY (FI) 1990-10-31 CN disclosed
EP-0061745-A1 Tetrahydroisoquinoline compounds, processes for preparation thereof and pharmaceutical composition containing them Tanabe Seiyaku Co., Ltd. (JP) 1982-10-06 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 (3 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TAAR1 1102/4885IDO1 3306/4885HRH3 781/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TAAR1 1102/4885IDO1 3306/4885HRH3 781/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 TAAR1 772/4885IDO1 174/4885HRH3 119/4885

“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.