SCHEMBL26569679

SCHEMBL26569679

Cc1cc(C)c(-c2nc(C(C)(C)C)c(C)cc2C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL26569685 0.79 CYP2C9 (0.33) CYP2C9CYP2C19NPSR1
SCHEMBL26569676 0.74 CRHR1 (0.35) KDM4EPKMCYP2C9CYP2C19NPSR1
SCHEMBL26569656 0.72 PDE10A (0.53) KDM4EPKMCYP2C19ALDH1A1
SCHEMBL13336153 0.70 NOS3 (0.31)
SCHEMBL26733460 0.67 CYP1A2 (0.34) KDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL25938679 0.67 TDP1 (0.41) KDM4EALDH1A1
SCHEMBL20457069 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12169342 0.66 NOS3 (0.50) KDM4EALDH1A1
SCHEMBL24928215 0.64 CYP1A2 (0.35) KDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL317299 0.62 RAPGEF4 (0.50) KDM4EALDH1A1

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 KDM4E 3832/4885PKM 2937/4885CYP2C9 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.