SCHEMBL21116871

SCHEMBL21116871

N#Cc1ccc(-c2ccc(C#N)c(-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2)cc1-n1c2ccccc2c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ICMT O60725 2/20 0.36
AR P10275 10/20 0.36
KIF11 P52732 1/20 0.35
RORC P51449 1/20 0.34
PGR P06401 1/20 0.34
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL21116273 0.94 CYP11B1 (0.42) CYP11B1CYP11B2ICMTARKIF11
SCHEMBL21116868 0.93 CYP11B1 (0.38) CYP11B1CYP11B2ARKIF11PGR
SCHEMBL21116349 0.92 KIF11 (0.40) CYP11B1CYP11B2ARKIF11RORC
SCHEMBL20114993 0.91 ABCG2 (0.35) CYP11B1CYP11B2ICMTAR
SCHEMBL21116263 0.90 KIF11 (0.42) CYP11B1CYP11B2ARKIF11RORC
SCHEMBL19917926 0.90 ICMT (0.35) CYP11B1CYP11B2ICMTARKIF11
SCHEMBL19903550 0.89 ICMT (0.37) CYP11B1CYP11B2ICMTKIF11RXRA
SCHEMBL26540115 0.88 ICMT (0.38) CYP11B1CYP11B2ICMTARRXRA
SCHEMBL21131416 0.87 AR (0.38) CYP11B1CYP11B2ICMTARRORC
SCHEMBL20849026 0.87 AR (0.35) CYP11B1CYP11B2ICMTARRORC

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 2 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
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 CYP11B1 1343/4885CYP11B2 1090/4885ICMT 2503/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 CYP11B1 1257/4885CYP11B2 1121/4885ICMT 2637/4885

“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.