SCHEMBL6053271

SCHEMBL6053271

CCCCC(F)(F)c1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.43
CYP2D6 P10635 4/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
KIF11 P52732 2/20 0.41
CCR6 P51684 1/20 0.39
KCNH2 Q12809 1/20 0.39
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.38
EPHX2 P34913 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL23136163 0.90 KIF11 (0.43) CACNA1BCYP2D6CNR1CNR2KIF11
SCHEMBL28662244 0.84 CCR6 (0.40) CACNA1BCYP2D6CNR1CNR2KIF11
SCHEMBL15995281 0.83 ALDH1A1 (0.41) CNR1CNR2MAPT
SCHEMBL5646550 0.82 CNR2 (0.60) CNR1CNR2KIF11ACHE
SCHEMBL29058872 0.78 KIF11 (0.51) KIF11ACHEL3MBTL1MAPTNPSR1
SCHEMBL2005286 0.78 KIF11 (0.44) KIF11CCR6KCNH2ACHEL3MBTL1
SCHEMBL20313082 0.76 CNR2 (0.54) CNR1CNR2KIF11MAPTFAAH
SCHEMBL14025162 0.76 CNR2 (0.68) CNR1CNR2
SCHEMBL12409056 0.75 ALDH1A1 (0.42) KIF11
SCHEMBL29782607 0.75 L3MBTL1 (0.58) CYP2D6ACHEL3MBTL1MAPTNPSR1

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 2 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

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 CACNA1B 1403/4885CYP2D6 491/4885CNR1 2172/4885

“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.