SCHEMBL20111867

SCHEMBL20111867

Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3C#N)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
CYP2C9 P11712 1/20 0.35
SCN9A Q15858 1/20 0.35
AR P10275 6/20 0.34
KIF11 P52732 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
HIF1A Q16665 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
NLRP3 Q96P20 1/20 0.31
TSHR P16473 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
SCHEMBL20111865 0.95 KIF11 (0.39) ALDH1A1GLAGAAHPGDATM
SCHEMBL26777022 0.93 KIF11 (0.33) ALDH1A1GLAGAAHPGDATM
SCHEMBL21258709 0.93 AR (0.43) ALDH1A1GLAGAAHPGDATM
SCHEMBL20925150 0.92 KIF11 (0.36) ALDH1A1CYP2C9SCN9AARKIF11
SCHEMBL21258866 0.92 AR (0.35) ALDH1A1GLAGAAHPGDATM
SCHEMBL20111858 0.91 KIF11 (0.36) ALDH1A1GLAGAAHPGDATM
SCHEMBL19918038 0.90 ALOX5AP (0.34) ALDH1A1GLAGAAHPGDATM
SCHEMBL20112004 0.90 AR (0.46) ALDH1A1GLAGAAHPGDATM
SCHEMBL21258830 0.90 ALOX5AP (0.39) ALDH1A1GAACYP2C9SCN9AAR
SCHEMBL25660126 0.89 ALOX5AP (0.39) ALDH1A1GLAGAAHPGDATM

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 ALDH1A1 65/4885GLA 1787/4885GAA 2471/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 ALDH1A1 654/4885GLA 2968/4885GAA 3988/4885

“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.