SCHEMBL20848952

SCHEMBL20848952

Cc1ccc(-c2ccc(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)cc2-c2cc(C#N)ccc2-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
ELANE P08246 4/20 0.32
KIF11 P52732 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
AR P10275 1/20 0.30
NR3C1 P04150 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
SCHEMBL20849567 0.95 ELANE (0.33) CYP2C9SCN9AELANEKIF11HCRTR1
SCHEMBL22985130 0.94 AR (0.33) CYP2C9SCN9AELANEKIF11ALOX5AP
SCHEMBL20848873 0.94 ELANE (0.34) ELANEKIF11PTGDR2AR
SCHEMBL22985479 0.94 KIF11 (0.34) CYP2C9SCN9AELANEKIF11ALOX5AP
SCHEMBL20848892 0.91 AR (0.40) CYP2C9SCN9AELANEKIF11HCRTR1
SCHEMBL20848772 0.91 ELANE (0.32) ELANEKIF11PTGDR2AR
SCHEMBL20849073 0.91 AR (0.33) CYP2C9SCN9AELANEAR
SCHEMBL22985403 0.91 KIF11 (0.35) CYP2C9SCN9AELANEKIF11ALOX5AP
SCHEMBL20849564 0.90 ELANE (0.33) ELANEKIF11PTGDR2
SCHEMBL20848951 0.90 AR (0.32) CYP2C9SCN9AELANEKIF11ALOX5AP

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 CYP2C9 725/4885SCN9A 1664/4885ELANE 4164/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 CYP2C9 725/4885SCN9A 1664/4885ELANE 4164/4885

“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.