SCHEMBL1609608

SCHEMBL1609608

[CH2]CCCCc1cccc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.57
IDO1 P14902 2/20 0.50
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NAAA Q02083 1/20 0.43
DAO P14920 2/20 0.42
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.42
FDPS P14324 1/20 0.41
SLC5A2 P31639 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CTBP2 P56545 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
SCHEMBL1610915 0.98 TAAR1 (0.55) TAAR1IDO1HRH3MEN1KMT2A
SCHEMBL1610035 0.98 TAAR1 (0.55) TAAR1IDO1HRH3MEN1KMT2A
SCHEMBL1610691 0.98 TAAR1 (0.55) TAAR1IDO1HRH3MEN1KMT2A
SCHEMBL1610002 0.94 TAAR1 (0.59) TAAR1IDO1HRH3DAOACHE
SCHEMBL8092500 0.89 TAAR1 (0.68) TAAR1IDO1HRH3NAAADAO
SCHEMBL8093918 0.87 TAAR1 (0.65) TAAR1IDO1HRH3NAAADAO
SCHEMBL8102622 0.87 TAAR1 (0.65) TAAR1IDO1HRH3NAAADAO
SCHEMBL8092438 0.87 TAAR1 (0.65) TAAR1IDO1HRH3NAAADAO
SCHEMBL8094389 0.87 TAAR1 (0.65) TAAR1IDO1HRH3NAAADAO
SCHEMBL8086943 0.87 TAAR1 (0.65) TAAR1IDO1HRH3NAAADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1226113-B1 ESTERS COMPRISING A SECONDARY CARBAMOYL FUNCTION AND THEIR USE AS ODORANT ALCOHOL PRECURSORS FIRMENICH & CIE (CH) 2005-11-09 EP disclosed
US-6677297-B2 PERFUMES FOR TEXTILES; PROLONGED DIFFUSION FIRMENICH SA (CH) 2004-01-13 US disclosed
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
US-20020144360-A1 Esters comprising a secondary carbamoyl function and their use as odorant alcohol precursors FIRMENICH SA (CH) 2002-10-10 US disclosed
EP-1226113-A1 ESTERS COMPRISING A SECONDARY CARBAMOYL FUNCTION AND THEIR USE AS ODORANT ALCOHOL PRECURSORS Firmenich S.A. (CH) 2002-07-31 EP disclosed
WO-2001028980-A1 ESTERS COMPRISING A SECONDARY CARBAMOYL FUNCTION AND THEIR USE AS ODORANT ALCOHOL PRECURSORS FIRMENICH S.A. (CH) 2001-04-26 WO disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed
EP-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 (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-20020144360-A1 Esters comprising a secondary carbamoyl function and their use as odorant alcohol precursors ADH1C, ADH1A, CBR1 TAAR1 468/4885IDO1 4054/4885HRH3 710/4885
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.