SCHEMBL20111865

SCHEMBL20111865

Cc1ccc2c3ccccc3n(-c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc(-n4c5ccccc5c5ccc(C)cc54)c3C#N)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
CYP2C9 P11712 1/20 0.34
SCN9A Q15858 1/20 0.34
AR P10275 4/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
PDE9A O76083 2/20 0.32
PDE1C Q14123 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL20111867 0.95 ALDH1A1 (0.35) KIF11CYP2C9SCN9AARALDH1A1
SCHEMBL20111863 0.94 KIF11 (0.37) KIF11CYP2C9SCN9AARALDH1A1
SCHEMBL26777029 0.93 KIF11 (0.38) KIF11CYP2C9SCN9AALDH1A1GLA
SCHEMBL21258753 0.93 AR (0.39) KIF11CYP2C9SCN9AARALDH1A1
SCHEMBL20925147 0.93 KIF11 (0.43) KIF11CYP2C9SCN9AARALDH1A1
SCHEMBL21258706 0.93 AR (0.37) KIF11CYP2C9SCN9AARALDH1A1
SCHEMBL20111819 0.92 KIF11 (0.40) KIF11CYP2C9SCN9AARALDH1A1
SCHEMBL20112002 0.92 AR (0.43) KIF11CYP2C9SCN9AARALDH1A1
SCHEMBL20111559 0.91 KIF11 (0.39) KIF11CYP2C9SCN9AARALDH1A1
SCHEMBL21258704 0.91 KIF11 (0.37) KIF11CYP2C9SCN9AARALDH1A1

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 3426/4885CYP2C9 171/4885SCN9A 1985/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3661/4885CYP2C9 817/4885SCN9A 2084/4885

“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.