SCHEMBL21758705

SCHEMBL21758705

N#Cc1ccc(-c2cnccc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
CYP3A5 P20815 2/20 0.35
ALOX5AP P20292 3/20 0.34
FEN1 P39748 2/20 0.34
PDE10A Q9Y233 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
SLC22A12 Q96S37 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
AR P10275 1/20 0.31
HTR2B P41595 1/20 0.31
HTR6 P50406 1/20 0.31
KIF11 P52732 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 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
SCHEMBL21758505 0.96 CYP3A4 (0.35) CYP3A4CYP3A5ALOX5APFEN1PDE10A
SCHEMBL21758694 0.94 CYP3A4 (0.35) CYP3A4CYP3A5ALOX5APFEN1PDE10A
SCHEMBL21758734 0.91 CYP3A4 (0.35) CYP3A4CYP3A5ALOX5APFEN1PDE10A
SCHEMBL21758486 0.91 CYP3A4 (0.37) CYP3A4CYP3A5SLC22A12PSEN1PSEN2
SCHEMBL21399438 0.90 KIF11 (0.35) ALOX5APFEN1PSEN1PSEN2APH1B
SCHEMBL20848477 0.90 KIF11 (0.35) ALOX5APFEN1PSEN1PSEN2APH1B
SCHEMBL20849544 0.90 KIF11 (0.36) ALOX5APFEN1PSEN1PSEN2APH1B
SCHEMBL23255591 0.89 KIF11 (0.38) CYP3A4CYP3A5CYP11B2SLC22A12KIF11
SCHEMBL22985315 0.89 KIF11 (0.34) ALOX5APFEN1ARKIF11PTGER4
SCHEMBL22985689 0.89 KIF11 (0.36) ALOX5APFEN1ARKIF11PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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 (1 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 CYP3A4 1908/4885CYP3A5 2515/4885ALOX5AP 1499/4885

“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.