SCHEMBL22985691

SCHEMBL22985691

N#Cc1ccc(-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
AR P10275 5/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
NSD2 O96028 1/20 0.32
ICMT O60725 4/20 0.31
ELANE P08246 2/20 0.31
CETP P11597 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
SCHEMBL22985381 0.96 KIF11 (0.35) KIF11RXRARXRGARTMPRSS4
SCHEMBL20848422 0.96 KIF11 (0.36) KIF11RXRARXRGARNSD2
SCHEMBL20849121 0.96 KIF11 (0.36) KIF11RXRARXRGARNSD2
SCHEMBL22985702 0.96 KIF11 (0.35) KIF11RXRARXRGARTMPRSS4
SCHEMBL22985253 0.95 AR (0.34) KIF11RXRARXRGARTMPRSS4
SCHEMBL20849001 0.93 KIF11 (0.40) KIF11RXRARXRGTMPRSS4ICMT
SCHEMBL20848761 0.92 KIF11 (0.35) KIF11RXRARXRGARNSD2
SCHEMBL20849595 0.92 KIF11 (0.35) KIF11RXRARXRGARNSD2
SCHEMBL20849576 0.92 KIF11 (0.35) KIF11RXRARXRGARNSD2
SCHEMBL20848727 0.92 KIF11 (0.35) KIF11RXRARXRGARNSD2

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 525/4885RXRA 1291/4885RXRG 1348/4885

“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.