SCHEMBL1611264

SCHEMBL1611264

[C]#CCCCc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
HRH1 P35367 1/20 0.42
IDO1 P14902 1/20 0.39
KCNH2 Q12809 4/20 0.39
HRH3 Q9Y5N1 1/20 0.38
FFAR1 O14842 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
AGXT P21549 1/20 0.35

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
SCHEMBL1609740 0.94 IGF1R (0.48) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL1611092 0.92 IGF1R (0.47) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL1612163 0.92 IGF1R (0.47) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL1610569 0.86 CYP1A2 (0.50) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL1609720 0.83 CA2 (0.48)
SCHEMBL1611318 0.83 LPL (0.42)
SCHEMBL1612454 0.83 TAAR1 (0.46) CYP2A6TAAR1
SCHEMBL1613007 0.81 ESR1 (0.53)
SCHEMBL1612306 0.79 ESR1 (0.57)
SCHEMBL1612151 0.79 ESR1 (0.57)

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 8 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
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US 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

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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX CYP1A2 3248/4885CYP2A6 3403/4885TAAR1 1466/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 CYP1A2 4314/4885CYP2A6 4116/4885TAAR1 733/4885
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.