SCHEMBL22985479

SCHEMBL22985479

N#Cc1ccc(-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(-c2cc(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)ccc2-c2ccc(C#N)cc2C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
AR P10275 5/20 0.33
ELANE P08246 5/20 0.32
CYP2C9 P11712 1/20 0.32
SCN9A Q15858 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
DGAT1 O75907 1/20 0.30
SOAT1 P35610 1/20 0.30
KCNH2 Q12809 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL22985482 0.95 AR (0.32) KIF11ALOX5APFEN1ARELANE
SCHEMBL20848951 0.94 AR (0.32) KIF11ALOX5APFEN1ARELANE
SCHEMBL20848491 0.94 KIF11 (0.40) KIF11ARELANEPTGDR2DGAT1
SCHEMBL20848952 0.94 CYP2C9 (0.33) KIF11ALOX5APFEN1ARELANE
SCHEMBL20848939 0.94 ALOX5AP (0.36) KIF11ALOX5APFEN1AR
SCHEMBL22985589 0.93 AR (0.35) KIF11ARELANEPTGDR2TRPV4
SCHEMBL20848964 0.93 AR (0.33) KIF11ARELANEPTGDR2TRPV4
SCHEMBL20848811 0.93 AR (0.33) KIF11ARELANEPTGDR2TRPV4
SCHEMBL20848542 0.93 KIF11 (0.33) KIF11ARPTGDR2
SCHEMBL20849032 0.93 KIF11 (0.33) KIF11ALOX5APFEN1ELANECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919880-B2 Organic molecules, in particular for use in optoelectronic devices CYNORA GMBH (DE) 2021-02-16 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-10919880-B2 Organic molecules, in particular for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 KIF11 525/4885ALOX5AP 2567/4885FEN1 2939/4885

“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.