SCHEMBL6053384

SCHEMBL6053384

FC(F)=CCCCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SIGMAR1 Q99720 10/20 0.47
FAAH O00519 3/20 0.46
CES1 P23141 3/20 0.46
MAOA P21397 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
MAOB P27338 1/20 0.44
ALOX5 P09917 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL6053666 0.98 MAOA (0.47) MAPTRXFP1SIGMAR1FAAHCES1
SCHEMBL6053391 0.92 HDAC3 (0.45) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL6053648 0.84 TDP1 (0.46) SIGMAR1HDAC1HDAC2ALOX15
SCHEMBL29291453 0.78 MAOA (0.47) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL11829781 0.78 MAPT (0.55) MAPTRXFP1SIGMAR1FAAHCES1
SCHEMBL4889046 0.78 SIGMAR1 (0.52) MAPTRXFP1SIGMAR1FAAHCES1
SCHEMBL3586717 0.78 MAPT (0.53) MAPTRXFP1SIGMAR1MAOATRPV1
SCHEMBL4469893 0.78 MAPT (0.53) MAPTRXFP1SIGMAR1MAOATRPV1
SCHEMBL10516477 0.78 MAPT (0.53) MAPTRXFP1SIGMAR1MAOATRPV1
SCHEMBL3584640 0.78 MAPT (0.53) MAPTRXFP1SIGMAR1MAOATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 MAPT 4421/4885RXFP1 4451/4885SIGMAR1 2940/4885

“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.