SCHEMBL21546828

SCHEMBL21546828

Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cc(-c3cccc(C#N)c3)cc(-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
CLK4 Q9HAZ1 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAP4K4 O95819 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL22761058 0.95 CYP1A2 (0.41) CYP1A2CLK4ALDH1A1CYP3A4MAP4K4
SCHEMBL21546834 0.93 GRIA2 (0.39) CYP1A2CLK4ALDH1A1CYP3A4MAP4K4
SCHEMBL21547025 0.92 MAP4K4 (0.43) CYP1A2CLK4ALDH1A1CYP3A4MAP4K4
SCHEMBL21546832 0.92 GRIA2 (0.37) CYP1A2CLK4ALDH1A1CYP3A4MAP4K4
SCHEMBL21546789 0.91 ALDH1A1 (0.39) CYP1A2CLK4ALDH1A1CYP3A4MAP4K4
SCHEMBL22760924 0.90 SYK (0.37) CYP1A2CLK4ALDH1A1CYP3A4MAP4K4
SCHEMBL21546808 0.90 ADORA2A (0.36) CYP1A2CLK4ALDH1A1CYP3A4MAP4K4
SCHEMBL21414298 0.90 MAP4K4 (0.41) CYP1A2CLK4ALDH1A1CYP3A4MAP4K4
SCHEMBL21546496 0.90 MAP4K4 (0.41) CYP1A2CLK4ALDH1A1CYP3A4MAP4K4
SCHEMBL21546441 0.89 ADORA1 (0.42) CYP1A2CLK4ALDH1A1CYP3A4MAP4K4

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-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM CYP1A2 512/4885CLK4 4622/4885ALDH1A1 45/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM CYP1A2 512/4885CLK4 4622/4885ALDH1A1 45/4885

“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.