SCHEMBL20150362

SCHEMBL20150362

Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
ABCG2 Q9UNQ0 5/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP1 O94782 1/20 0.33
WDR48 Q8TAF3 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
AR P10275 3/20 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
SCHEMBL20155937 0.90 USP1 (0.33) S1PR1S1PR3ABCG2MEN1ALDH1A1
SCHEMBL20150363 0.89 AR (0.35) S1PR1S1PR3ABCG2MEN1ALDH1A1
SCHEMBL20150348 0.88 CYP1A2 (0.36) ABCG2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL20114560 0.87 MEN1 (0.38) ABCG2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL20834574 0.86 USP1 (0.41) ABCG2ALDH1A1CYP1A2CLK4CYP2D6
SCHEMBL20834572 0.85 AR (0.41) ABCG2CYP1A2CLK4CYP2D6CYP2C9
SCHEMBL20834524 0.85 ACP1 (0.41) ABCG2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL20155939 0.85 USP1 (0.33) S1PR1S1PR3ABCG2MEN1ALDH1A1
SCHEMBL23679189 0.85 CYP1A2 (0.36) ABCG2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL20834497 0.85 TRPA1 (0.40) S1PR1S1PR3MEN1ALDH1A1CYP1A2

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-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 (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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 S1PR1 3057/4885S1PR3 3311/4885ABCG2 2585/4885

“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.