SCHEMBL20111529

SCHEMBL20111529

N#Cc1c(F)ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
TRPV3 Q8NET8 1/20 0.37
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CES2 O00748 1/20 0.36
KIF11 P52732 2/20 0.36
MPL P40238 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
NOTUM Q6P988 1/20 0.34
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL25658520 0.85 ALOX5AP (0.45) ARALOX5APFEN1KIF11MPL
SCHEMBL25658385 0.85 KIF11 (0.45) ARGAAGLAPOLBTSHR
SCHEMBL20617129 0.81 AR (0.45) ARGAAGLAKDM4EALDH1A1
SCHEMBL20111587 0.80 ALOX5AP (0.47) ARALOX5APFEN1GAAGLA
SCHEMBL19903571 0.78 AKR1C3 (0.39) ALOX5APFEN1GAAKIF11PTGDR2
SCHEMBL20111535 0.77 AR (0.46) ARALOX5APFEN1GAAGLA
SCHEMBL28676412 0.76 TSHR (0.56) ARALOX5APFEN1TRPV3GAA
SCHEMBL20111586 0.76 AR (0.45) ARALOX5APFEN1GAAGLA
SCHEMBL19072701 0.75 NOS3 (0.38) ALOX5APFEN1MPLPTGDR2KDM4E
SCHEMBL21898619 0.75 AR (0.36) ARGAAGLAKIF11MPL

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 AR 4611/4885ALOX5AP 2592/4885FEN1 1121/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 AR 4386/4885ALOX5AP 3253/4885FEN1 1286/4885

“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.