SCHEMBL22985547

SCHEMBL22985547

N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(-c2c(C#N)cccc2-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
AR P10275 11/20 0.36
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
XDH P47989 1/20 0.33
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
PGR P06401 2/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTPN5 P54829 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL20849012 0.97 AR (0.38) ALOX5APFEN1AREDNRBEDNRA
SCHEMBL22985548 0.96 ALOX5AP (0.36) ALOX5APFEN1AREDNRBEDNRA
SCHEMBL20849519 0.95 AR (0.40) ALOX5APFEN1AREDNRBEDNRA
SCHEMBL20849159 0.95 AR (0.38) ALOX5APFEN1AREDNRBEDNRA
SCHEMBL20849515 0.95 ALOX5AP (0.35) ALOX5APFEN1AREDNRBEDNRA
SCHEMBL20849307 0.94 AR (0.38) ALOX5APFEN1AREDNRBEDNRA
SCHEMBL20848739 0.94 AR (0.38) ALOX5APFEN1AREDNRBEDNRA
SCHEMBL22985629 0.93 ALOX5AP (0.41) ALOX5APFEN1ARXDHPGR
SCHEMBL20849513 0.93 AR (0.38) ALOX5APFEN1AREDNRBEDNRA
SCHEMBL20849334 0.93 AR (0.35) ALOX5APFEN1AREDNRBEDNRA

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.