SCHEMBL22985452

SCHEMBL22985452

Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccc(C#N)c(-c3cc(-c4ccc(C(F)(F)F)cc4C#N)ccc3-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
AR P10275 4/20 0.33
XDH P47989 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCAT1 P54687 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL22985454 0.96 ALOX5AP (0.35) ALOX5APFEN1ARXDHBCAT1
SCHEMBL20849178 0.93 AR (0.36) ALOX5APFEN1ARTSHRSMN1; SMN2
SCHEMBL22985188 0.93 ALOX5AP (0.37) ALOX5APFEN1ARXDHTSHR
SCHEMBL22985457 0.92 ALOX5AP (0.38) ALOX5APFEN1ARXDHTSHR
SCHEMBL22985451 0.91 AR (0.41) ALOX5APFEN1ARXDHTSHR
SCHEMBL22985655 0.91 ALOX5AP (0.39) ALOX5APFEN1ARXDHTSHR
SCHEMBL22985263 0.90 ALOX5AP (0.42) ALOX5APFEN1ARXDHTSHR
SCHEMBL22985266 0.89 AR (0.46) ALOX5APFEN1ARXDHBCAT1
SCHEMBL20849176 0.89 AR (0.37) ARBCAT1NR3C1
SCHEMBL20848987 0.89 AR (0.34) ARBCAT1

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.