SCHEMBL1610053

SCHEMBL1610053

[CH]=CCc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
ACHE P22303 2/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 4/20 0.38
CYP2A13 Q16696 1/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CTBP2 P56545 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL1610073 0.82 ESR1 (0.41) TAAR1ACHETSHRMAPTGAA
SCHEMBL1988589 0.78 TAAR1 (0.48) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL1611530 0.77 TAAR1 (0.54) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL28958193 0.76 TAAR1 (0.46) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL6085811 0.76 TAAR1 (0.46) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL87998 0.76 GABRA1 (0.47) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL29767673 0.76 TAAR1 (0.46) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL27579518 0.76 TAAR1 (0.46) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL168282 0.76 TAAR1 (0.46) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL16167522 0.74 TAAR1 (0.56) TAAR1ACHETSHRCHRM2PTGS1

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 14 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
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
EP-0387196-B1 Complexes with optically active ligands, process for their preparation and their use CIBA GEIGY AG (CH) 1995-05-03 EP disclosed
EP-0254685-B1 Complexes with optically active sugar ligands, process for their preparation and their use CIBA GEIGY AG (CH) 1994-04-13 EP disclosed
WO-1993011167-A1 POLYMERISATION PROCESS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-10 WO disclosed
US-5047557-A Complexes having optically active ligands, a process for their preparation and their use CIBA-GEIGY CORPORATION (US) 1991-09-10 US disclosed
US-4981827-A Catalysts IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-01 US disclosed
EP-0387196-A1 Complexes with optically active ligands, process for their preparation and their use CIBA-GEIGY AG (CH) 1990-09-12 EP disclosed
US-4914196-A CHIRAL REACTANTS FOR ALDEHYDES, KETONES, N-SUBSTITUTED IMINES CIBA-GEIGY CORPORATION (US) 1990-04-03 US disclosed
US-4826965-A Metal complexes containing optically active sugar ligands, a process for their preparation and their use as chiral reactants for synthesis of alcohols and amines CIBA-GEIGY CORPORATION (US) 1989-05-02 US disclosed
EP-0254685-A2 Complexes with optically active sugar ligands, process for their preparation and their use CIBA-GEIGY AG (CH) 1988-01-27 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 (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 TAAR1 772/4885ACHE 3944/4885TSHR 2994/4885

“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.