SCHEMBL20111544

SCHEMBL20111544

N#Cc1cc(F)c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.43
AR P10275 8/20 0.40
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
CES2 O00748 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL25658392 0.87 KIF11 (0.49) KIF11ARCYP3A4CYP3A5TRPV4
SCHEMBL25658455 0.84 ALOX5AP (0.46) KIF11ARCYP3A4CYP3A5ALOX5AP
SCHEMBL1360894 0.78 KIF11 (0.62) KIF11ARALOX5APFEN1PTGDR2
SCHEMBL17514465 0.77 KIF11 (0.42) KIF11ARCYP3A4CYP3A5TRPV4
SCHEMBL21258728 0.76 KIF11 (0.36) KIF11ARALOX5APFEN1PTGDR2
SCHEMBL21258724 0.76 KIF11 (0.35) KIF11ARCYP3A4ALOX5APFEN1
SCHEMBL20111535 0.75 AR (0.46) ARALOX5APFEN1CES2
SCHEMBL20111587 0.75 ALOX5AP (0.47) KIF11ARALOX5APFEN1CES2
SCHEMBL20111529 0.74 AR (0.39) KIF11ARALOX5APFEN1PTGDR2
SCHEMBL20111586 0.74 AR (0.45) ARALOX5APFEN1TRPV4

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 4 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
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO 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 KIF11 3426/4885AR 4611/4885CYP3A4 444/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3661/4885AR 4386/4885CYP3A4 1196/4885

“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.