SCHEMBL20848898

SCHEMBL20848898

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(C#N)cc1-c1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.37
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
DDR1 Q08345 2/20 0.33
NSD2 O96028 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
ELANE P08246 2/20 0.32
TRPV4 Q9HBA0 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL20848775 0.96 KIF11 (0.36) KIF11ALOX5APFEN1DDR1NSD2
SCHEMBL20848415 0.96 KIF11 (0.36) KIF11ALOX5APFEN1DDR1NSD2
SCHEMBL22985495 0.96 KIF11 (0.39) KIF11NSD2NR3C1TRPV4AR
SCHEMBL20848840 0.96 KIF11 (0.40) KIF11ALOX5APFEN1NSD2CYP2C9
SCHEMBL20848757 0.95 KIF11 (0.35) KIF11ALOX5APFEN1NR3C1CYP2C9
SCHEMBL22985422 0.94 KIF11 (0.40) KIF11ALOX5APFEN1NSD2PTGDR2
SCHEMBL20848838 0.94 KIF11 (0.40) KIF11ALOX5APFEN1NSD2CYP2C9
SCHEMBL20849019 0.94 KIF11 (0.40) KIF11ALOX5APFEN1NSD2CYP2C9
SCHEMBL22985586 0.92 KIF11 (0.37) KIF11NSD2NR3C1TRPV4AR
SCHEMBL22985556 0.92 KIF11 (0.37) KIF11NSD2NR3C1TRPV4AR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 US 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 KIF11 419/4885ALOX5AP 3630/4885FEN1 3586/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 KIF11 419/4885ALOX5AP 3630/4885FEN1 3586/4885

“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.