SCHEMBL21116256

SCHEMBL21116256

N#Cc1ccc(-c2ccc(C#N)c(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)c2)cc1-n1c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.43
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
PGR P06401 3/20 0.38
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL21116265 0.95 AR (0.44) ARALOX5APFEN1PGR
SCHEMBL21116272 0.91 AR (0.43) ARALOX5APFEN1PGRCYP11B1
SCHEMBL21258698 0.90 AR (0.40) ARALOX5APFEN1PGR
SCHEMBL21116271 0.88 AR (0.44) ARALOX5APFEN1PGR
SCHEMBL20114996 0.88 AR (0.41) ARALOX5APFEN1PGR
SCHEMBL21116257 0.88 CYP11B1 (0.41) ARALOX5APFEN1PGRCYP11B1
SCHEMBL21258840 0.87 ALOX5AP (0.40) ARALOX5APFEN1PGR
SCHEMBL21131809 0.87 AR (0.42) ARALOX5APFEN1PGR
SCHEMBL20849062 0.87 AR (0.39) ARALOX5APFEN1PGR
SCHEMBL21258835 0.87 ALOX5AP (0.39) ARALOX5APFEN1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
EP-3478656-B1 DICARBAZOLE DIPHENYL DERIVATIVES FOR USE IN OPTOPELECTRONIC DEVICES CYNORA GMBH (DE) 2021-09-08 EP disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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 (2 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 AR 1096/4885ALOX5AP 4470/4885FEN1 3270/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 AR 1080/4885ALOX5AP 4497/4885FEN1 3029/4885

“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.