SCHEMBL22985403

SCHEMBL22985403

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc2n3-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-c2cc(C#N)ccc2-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.35
ELANE P08246 4/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP2C9 P11712 1/20 0.34
SCN9A Q15858 1/20 0.34
AR P10275 5/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
NSD2 O96028 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL20848758 0.96 KIF11 (0.36) KIF11ELANEALOX5APFEN1CYP2C9
SCHEMBL20849068 0.94 AR (0.34) KIF11ELANEALOX5APFEN1CYP2C9
SCHEMBL20848740 0.94 AR (0.40) KIF11ELANEALOX5APFEN1CYP2C9
SCHEMBL20849019 0.93 KIF11 (0.40) KIF11ALOX5APFEN1CYP2C9SCN9A
SCHEMBL20848972 0.92 KIF11 (0.35) KIF11ELANEALOX5APFEN1CYP2C9
SCHEMBL20848834 0.92 KIF11 (0.35) KIF11ELANEALOX5APFEN1CYP2C9
SCHEMBL22985682 0.92 AR (0.37) KIF11ELANEARNSD2AKR1C3
SCHEMBL20848742 0.92 AR (0.43) KIF11ELANEALOX5APFEN1CYP2C9
SCHEMBL22985422 0.91 KIF11 (0.40) KIF11ELANEALOX5APFEN1AR
SCHEMBL20848838 0.91 KIF11 (0.40) KIF11ALOX5APFEN1CYP2C9SCN9A

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 525/4885ELANE 3847/4885ALOX5AP 2567/4885

“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.