SCHEMBL1611960

SCHEMBL1611960

[CH]=CCCc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
IDO1 P14902 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ACHE P22303 1/20 0.38
AGXT P21549 2/20 0.38
CHKA P35790 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HRH1 P35367 1/20 0.36
FFAR1 O14842 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
SCHEMBL1611486 0.86 CYP1A2 (0.46) CYP1A2CYP2A6TAAR1IDO1HRH3
SCHEMBL1610334 0.85 IGF1R (0.48) CYP1A2CYP2A6TAAR1IDO1HRH3
SCHEMBL1610738 0.83 IGF1R (0.47) CYP1A2CYP2A6TAAR1IDO1HRH3
SCHEMBL1610374 0.83 IGF1R (0.47) CYP1A2CYP2A6TAAR1IDO1HRH3
SCHEMBL1612798 0.81 LPL (0.45) ALDH1A1KMT2AGPR84L3MBTL1
SCHEMBL1610308 0.81 TAAR1 (0.50) CYP2A6TAAR1IDO1TDP1ALDH1A1
SCHEMBL8733231 0.78 CYP1A2 (0.52) CYP1A2CYP2A6TAAR1IDO1HRH3
SCHEMBL1610363 0.77 CA2 (0.48) ACHEALDH1A1
SCHEMBL6083273 0.76 CYP1A2 (0.50) CYP1A2CYP2A6TAAR1IDO1HRH3
SCHEMBL364888 0.76 CYP2A6 (0.50) CYP1A2CYP2A6TAAR1IDO1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114051501-A Polymerizable composition, method for producing coated structure, and coating material 株式会社艾迪科 2022-02-15 CN disclosed
WO-2021044986-A1 POLYMERIZABLE COMPOSITION, METHOD FOR MANUFACTURING COATED STRUCTURE, COATED STRUCTURE AND COATING MATERIAL 株式会社ADEKA 2021-03-11 WO disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-7071359-B1 Neuropathy improvers containing nitrogenous compounds as the active ingredient TEIJIN LIMITED (JP) 2006-07-04 US disclosed
EP-1201235-B1 NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT TEIJIN LTD (JP) 2005-10-12 EP disclosed
EP-1201235-A1 NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT TEIJIN LIMITED (JP) 2002-05-02 EP disclosed
US-5753649-A Therapeutic agent for osteoporosis and diazepine compound YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
US-5593988-A DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed
US-3962201-A PROCESS FOR POLYMERIZING ACRYLICS EMPLOYING (HYDROCARBON-PEROXY HYDROCARBON) PHOSPHONATES S. A. TEXACO BELGIUM N.V. (BE) 1976-06-08 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 CYP1A2 125/4885CYP2A6 1465/4885TAAR1 772/4885

“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.