SCHEMBL21116346

SCHEMBL21116346

N#Cc1ccc(-c2ccc(C#N)c(-n3c4cc(-c5ccc(C(F)(F)F)cc5)ccc4c4ccc(-c5ccc(C(F)(F)F)cc5)cc43)c2)cc1-n1c2cc(-c3ccc(C(F)(F)F)cc3)ccc2c2ccc(-c3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.45
AR P10275 8/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PGR P06401 1/20 0.39
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL21116849 0.94 KIF11 (0.41) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL21116262 0.93 CYP11B1 (0.41) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL21116870 0.90 CYP11B1 (0.42) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL23798833 0.89 KIF11 (0.45) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL21116476 0.87 KIF11 (0.48) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL21116272 0.86 AR (0.43) ARCYP11B1CYP11B2PGR
SCHEMBL21116349 0.86 KIF11 (0.40) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL21132033 0.85 KIF11 (0.42) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL21116868 0.85 CYP11B1 (0.38) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL21116257 0.84 CYP11B1 (0.41) KIF11ARCYP11B1CYP11B2PGR

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 KIF11 3544/4885AR 1096/4885CYP11B1 1343/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 KIF11 3520/4885AR 1080/4885CYP11B1 1257/4885

“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.