SCHEMBL22985454

SCHEMBL22985454

Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cc(-c4ccc(C(F)(F)F)cc4C#N)ccc3-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
AR P10275 6/20 0.34
NR3C1 P04150 2/20 0.32
BCAT1 P54687 2/20 0.32
XDH P47989 2/20 0.32
KIF11 P52732 1/20 0.31
BCAT2 O15382 1/20 0.31
PGR P06401 1/20 0.30
NR3C2 P08235 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
SCHEMBL22985452 0.96 ALOX5AP (0.37) ALOX5APFEN1ARNR3C1BCAT1
SCHEMBL20849176 0.94 AR (0.37) ARNR3C1BCAT1PGRNR3C2
SCHEMBL22985456 0.93 AR (0.36) ALOX5APFEN1ARNR3C1BCAT1
SCHEMBL22985458 0.93 ALOX5AP (0.35) ALOX5APFEN1ARNR3C1BCAT1
SCHEMBL22985265 0.92 AR (0.38) ALOX5APFEN1ARNR3C1BCAT1
SCHEMBL22985264 0.92 AR (0.44) ALOX5APFEN1ARNR3C1BCAT1
SCHEMBL22985654 0.92 ALOX5AP (0.36) ALOX5APFEN1ARNR3C1BCAT1
SCHEMBL22985206 0.91 ALOX5AP (0.38) ALOX5APFEN1ARNR3C1XDH
SCHEMBL22985412 0.91 ALOX5AP (0.39) ALOX5APFEN1ARNR3C1XDH
SCHEMBL22985416 0.91 ALOX5AP (0.39) ALOX5APFEN1ARNR3C1XDH

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 ALOX5AP 2567/4885FEN1 2939/4885AR 3541/4885

“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.