SCHEMBL20848864

SCHEMBL20848864

Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cccc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.46
PGR P06401 2/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
BCAT1 P54687 1/20 0.33
SCN9A Q15858 2/20 0.32
CYP2C9 P11712 1/20 0.32
KIF11 P52732 1/20 0.32
BACE1 P56817 1/20 0.32
ERBB2 P04626 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
XDH P47989 1/20 0.31
RORC P51449 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
SCHEMBL20849102 0.97 AR (0.48) ARPGRPDE3BPDE3ABCAT1
SCHEMBL20848868 0.94 AR (0.40) ARPGRPDE3BPDE3ABCAT1
SCHEMBL20849216 0.94 AR (0.40) ARPGRPDE3BPDE3ASCN9A
SCHEMBL22985643 0.93 AR (0.43) ARPGRBCAT1KIF11BACE1
SCHEMBL20848502 0.93 AR (0.37) ARPGRPDE3BPDE3AKIF11
SCHEMBL20849016 0.92 AR (0.37) ARPGRPDE3BPDE3ABCAT1
SCHEMBL20849165 0.92 AR (0.45) ARPGRPDE3BPDE3ABCAT1
SCHEMBL22985013 0.92 AR (0.46) ARPGRPDE3BPDE3ARORC
SCHEMBL20848793 0.92 AR (0.40) ARPGRPDE3BPDE3ASCN9A
SCHEMBL20849011 0.91 AR (0.40) ARPGRPDE3BPDE3ABCAT1

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 3590/4885PDE3B 4471/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 AR 3706/4885PGR 3590/4885PDE3B 4471/4885

“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.