SCHEMBL20150406

SCHEMBL20150406

N#Cc1ccc(-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
S1PR3 Q99500 1/20 0.34
CYP2C9 P11712 1/20 0.34
SCN9A Q15858 1/20 0.34
KCNH2 Q12809 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
MAT2A P31153 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
AR P10275 1/20 0.33
KIF11 P52732 1/20 0.33
USP1 O94782 1/20 0.33
WDR48 Q8TAF3 1/20 0.33
ABCG2 Q9UNQ0 3/20 0.32
ELANE P08246 1/20 0.32
TRPA1 O75762 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
SCHEMBL20150400 0.97 ABCG2 (0.33) S1PR1ALOX5APFEN1S1PR3CYP2C9
SCHEMBL20848730 0.95 S1PR1 (0.33) S1PR1ALOX5APFEN1S1PR3CYP2C9
SCHEMBL22243075 0.94 CYP1A2 (0.33) S1PR1ALOX5APFEN1S1PR3CYP2C9
SCHEMBL20849547 0.94 CYP1A2 (0.33) S1PR1ALOX5APFEN1S1PR3CYP2C9
SCHEMBL20156112 0.94 S1PR1 (0.34) S1PR1ALOX5APFEN1S1PR3CYP2C9
SCHEMBL20848977 0.93 EDNRB (0.34) S1PR1ALOX5APFEN1S1PR3CYP2C9
SCHEMBL22242947 0.92 CYP1A2 (0.32) S1PR1ALOX5APFEN1S1PR3CYP2C9
SCHEMBL20848732 0.92 CYP1A2 (0.32) S1PR1ALOX5APFEN1S1PR3CYP2C9
SCHEMBL20150402 0.92 ABCG2 (0.33) S1PR1ALOX5APFEN1S1PR3CYP2C9
SCHEMBL20155939 0.91 USP1 (0.33) S1PR1ALOX5APFEN1S1PR3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 S1PR1 3057/4885ALOX5AP 4191/4885FEN1 2120/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 S1PR1 3057/4885ALOX5AP 4191/4885FEN1 2120/4885

“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.