SCHEMBL26569655

SCHEMBL26569655

Cc1nc(C)c(C(C)(C)C)cc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.50
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SQOR Q9Y6N5 1/20 0.39
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 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
SCHEMBL19285631 0.83 PSMB5 (0.60) PSMB5CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL26569654 0.83 KIF11 (0.42) NPSR1ALDH1A1TDP1KMT2AMAPT
SCHEMBL26569653 0.80 PSMB5 (0.33) PSMB5CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL26151067 0.72 PTGS2 (0.46) PSMB5ALDH1A1TDP1ADORA3ADORA2A
SCHEMBL10205857 0.72 PSMB5 (0.53) PSMB5CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL15853190 0.71 BACE1 (0.37) CYP1A2CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL4461656 0.71 BACE1 (0.37) ALDH1A1TDP1ADORA3ADORA2AADORA1
SCHEMBL7071941 0.71 PSMB5 (0.71) PSMB5CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL16169860 0.71 PDE10A (0.56) PSMB5CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL24570933 0.70 PDE4A (0.37) ALDH1A1ADORA3ADORA2AADORA1MEN1

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-20230337517-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 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-20230337517-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, OCIAD2, OCIAD1 PSMB5 3497/4885CYP1A2 1419/4885CYP2C9 741/4885

“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.