SCHEMBL20848882

SCHEMBL20848882

Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.47
PGR P06401 2/20 0.35
BCAT1 P54687 2/20 0.33
SCN9A Q15858 2/20 0.33
CYP2C9 P11712 1/20 0.33
BCAT2 O15382 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL20848884 0.97 AR (0.49) ARPGRBCAT1SCN9ACYP2C9
SCHEMBL20848849 0.94 AR (0.40) ARPGRSCN9ACYP2C9EDNRB
SCHEMBL20849177 0.94 AR (0.39) ARPGRBCAT1SCN9ACYP2C9
SCHEMBL22985264 0.93 AR (0.44) ARPGRBCAT1BCAT2
SCHEMBL20849180 0.93 AR (0.40) ARPGREDNRBEDNRA
SCHEMBL20848883 0.92 AR (0.40) ARPGRSCN9AEDNRBEDNRA
SCHEMBL20848699 0.92 AR (0.40) ARPGRSCN9ACYP2C9EDNRB
SCHEMBL20848696 0.92 AR (0.40) ARPGRSCN9ACYP2C9EDNRB
SCHEMBL22985543 0.92 AR (0.47) ARPGRBCAT1BCAT2RORC
SCHEMBL20849529 0.92 AR (0.37) ARPGRSCN9ACYP2C9RORC

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 AR 3706/4885PGR 3590/4885BCAT1 4033/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 AR 3706/4885PGR 3590/4885BCAT1 4033/4885

“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.