SCHEMBL6053288

SCHEMBL6053288

FC(F)CCCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.52
MAOA P21397 1/20 0.50
TRPA1 O75762 1/20 0.49
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAOB P27338 1/20 0.48
S1PR2 O95136 1/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47

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
SCHEMBL6053415 1.00 SIGMAR1 (0.52) SIGMAR1MAOATRPA1MAPTRXFP1
SCHEMBL16933719 1.00 SIGMAR1 (0.52) SIGMAR1MAOATRPA1MAPTRXFP1
SCHEMBL4269160 0.98 MAOA (0.52) SIGMAR1MAOATRPA1MAPTRXFP1
SCHEMBL16934138 0.91 SIGMAR1 (0.48) SIGMAR1MAOAMAOB
SCHEMBL31437678 0.83 SIGMAR1 (0.50) SIGMAR1MAOA
SCHEMBL4192452 0.81 HTR2A (0.52) MAOA
SCHEMBL676854 0.81 SIGMAR1 (0.71) SIGMAR1MAOAMAPTRXFP1MAOB
SCHEMBL8085946 0.81 SIGMAR1 (0.71) SIGMAR1MAOAMAPTRXFP1MAOB
SCHEMBL8094527 0.81 SIGMAR1 (0.71) SIGMAR1MAOAMAPTRXFP1MAOB
SCHEMBL6546948 0.81 SIGMAR1 (0.71) SIGMAR1MAOAMAPTRXFP1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
CN-109843963-B Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2022-05-13 CN disclosed
EP-3536683-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2021-11-24 EP disclosed
US-11174337-B2 Isocyanate composition, method for producing isocyanate polymer and isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-11-16 US disclosed
CN-107963982-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2021-11-12 CN disclosed
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
EP-3372579-B1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2020-10-28 EP disclosed
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-03 US disclosed
EP-3178323-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-06-14 EP disclosed
EP-3178322-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL Sumitomo Chemical Company Limited (JP) 2017-06-14 EP disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
EP-2915803-A1 POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION Asahi Kasei Chemicals Corporation (JP) 2015-09-09 EP disclosed
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-30 US disclosed
US-7119232-B2 Nucleophilic substitution reactions of difluorormethyl phenyl sulfone with alkyl halides leading to the facile synthesis of terminal 1,1-difluoro-1-alkenes and difluoromethylalkanes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-10-10 US disclosed
US-20060052643-A1 Nucleophilic substitution reactions of difluorormethyl phenyl sulfone with alkyl halides leading to the facile synthesis of terminal 1,1-difluoro-1-alkenes and difluoromethylalkanes UNIVERSITY OF SOUTHERN CALIFORNIA 2006-03-09 US disclosed
WO-2005097739-A2 NUCLEOPHILIC SUBSTITUTION REACTIONS OF DIFLUOROMETHYL PHENYL SULFONE WITH ALKYL HALIDES LEADING TO THE FACILE SYNTHESIS OF TERMINAL 1,1-DIFLUORO-1-ALKENES AND DIFLUOROMETHYLALKANES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-10-20 WO 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 (6 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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B SIGMAR1 4651/4885MAOA 2124/4885TRPA1 899/4885
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 SIGMAR1 495/4885MAOA 270/4885TRPA1 815/4885
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND TRPA1, OPRM1, OPRL1 SIGMAR1 13/4885MAOA 768/4885TRPA1 1/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B SIGMAR1 4625/4885MAOA 2042/4885TRPA1 953/4885
US-20060052643-A1 Nucleophilic substitution reactions of difluorormethyl phenyl sulfone with alkyl halides leading to the facile synthesis of terminal 1,1-difluoro-1-alkenes and difluoromethylalkanes PFAS, FRK, PFKFB1 SIGMAR1 2940/4885MAOA 4544/4885TRPA1 1359/4885
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY SIGMAR1 1873/4885MAOA 3947/4885TRPA1 189/4885

“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.