SCHEMBL22563464

SCHEMBL22563464

Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4nc(C)cc(C)n4)c(-n4c5cc(C)ccc5c5ccc(C)cc54)cc3C#N)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 7/20 0.34
GAA P10253 4/20 0.34
GLA P06280 3/20 0.34
HTT P42858 1/20 0.34
GRM2 Q14416 1/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
CRHBP P24387 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP14 P54578 1/20 0.31
HPGD P15428 4/20 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
SCHEMBL23487338 0.95 KDM4E (0.36) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL22563565 0.91 PKM (0.33) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL23487691 0.90 AR (0.36) ALDH1A1KDM4EGAAGLACYP1A2
SCHEMBL19942750 0.90 ALDH1A1 (0.34) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL23487623 0.89 HSP90AB1 (0.32) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL23487607 0.89 SCARB1 (0.34) CYP1A2CYP2C9CYP2C19NPSR1USP14
SCHEMBL22563563 0.88 GRM2 (0.37) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL23487766 0.87 AR (0.39) ALDH1A1KDM4EGAAGLACYP1A2
SCHEMBL19913220 0.87 KDM4E (0.34) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL23487628 0.87 KDM5B (0.34) CYP1A2CYP2C9CYP2C19NPSR1MAOA

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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 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 (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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 ALDH1A1 80/4885KDM4E 4619/4885GAA 3920/4885

“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.