SCHEMBL20111587

SCHEMBL20111587

N#Cc1c(F)cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.47
FEN1 P39748 4/20 0.47
KIF11 P52732 2/20 0.43
AR P10275 6/20 0.40
TRPV4 Q9HBA0 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CES2 O00748 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34

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
SCHEMBL25658384 0.84 KIF11 (0.54) ALOX5APFEN1KIF11ARTRPV4
SCHEMBL25658426 0.84 ALOX5AP (0.55) ALOX5APFEN1KIF11ARTRPV4
SCHEMBL20111536 0.84 ALOX5AP (0.47) ALOX5APFEN1KIF11ARCYP11B1
SCHEMBL30332325 0.83 KIF11 (0.42) ALOX5APFEN1KIF11ARTRPV4
SCHEMBL20616784 0.81 AR (0.58) ALOX5APFEN1KIF11ARTRPV4
SCHEMBL20111529 0.80 AR (0.39) ALOX5APFEN1KIF11ARALDH1A1
SCHEMBL1360894 0.78 KIF11 (0.62) ALOX5APFEN1KIF11ARTRPV4
SCHEMBL24017166 0.76 CES2 (0.46) ALOX5APFEN1KIF11GAACES2
SCHEMBL20925150 0.76 KIF11 (0.36) ALOX5APFEN1KIF11ARALDH1A1
SCHEMBL21258836 0.76 ALOX5AP (0.36) ALOX5APFEN1KIF11ARALDH1A1

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 ALOX5AP 2592/4885FEN1 1121/4885KIF11 3426/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 ALOX5AP 3253/4885FEN1 1286/4885KIF11 3661/4885

“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.