SCHEMBL21258735

SCHEMBL21258735

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)cc2C#N)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.39
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
XDH P47989 2/20 0.32
CYP2C9 P11712 1/20 0.32
SCN9A Q15858 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PGR P06401 2/20 0.31
GCGR P47871 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL21258852 0.94 AR (0.39) ARALOX5APFEN1XDHCYP2C9
SCHEMBL26777320 0.92 ALOX5AP (0.38) ARALOX5APFEN1XDHSCN9A
SCHEMBL21258736 0.92 AR (0.41) ARALOX5APFEN1XDHCYP2C9
SCHEMBL21258885 0.92 AR (0.41) ARALOX5APFEN1XDHCYP2C9
SCHEMBL19913120 0.91 AR (0.35) ARALOX5APFEN1XDHCYP2C9
SCHEMBL21258812 0.91 AR (0.36) ARALOX5APFEN1XDHTSHR
SCHEMBL21258737 0.91 AR (0.47) ARALOX5APFEN1XDHTSHR
SCHEMBL20111848 0.91 AR (0.37) ARTSHRSMN1; SMN2
SCHEMBL21258804 0.90 AR (0.52) ARALOX5APFEN1XDHCYP2C9
SCHEMBL26776790 0.90 AR (0.39) ARPGRPDE3BPDE3A

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-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 AR 4611/4885ALOX5AP 2592/4885FEN1 1121/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4386/4885ALOX5AP 3253/4885FEN1 1286/4885

“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.