SCHEMBL26569676

SCHEMBL26569676

Cc1cc(C)c(-c2ncc(C)c(C(C)(C)C)n2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL23772047 0.74 MEN1 (0.31)
SCHEMBL26569679 0.74 KDM4E (0.39) KDM4EPKMCYP2C9CYP2C19NPSR1
SCHEMBL14726084 0.70 NUDT1 (0.32) NOS3NOS1NOS2
SCHEMBL12622272 0.69 CRHR1 (0.42) CRHR1KDM4EPKMNOS3NOS1
SCHEMBL13531387 0.69 PSMB5 (0.38) CRHR1KDM4EPKMNOS3NOS1
SCHEMBL21341302 0.69 NUDT1 (0.32)
SCHEMBL21341719 0.68 POLB (0.35)
SCHEMBL12169342 0.68 NOS3 (0.50) KDM4ENOS3NOS1NOS2
SCHEMBL21719363 0.67 NUDT1 (0.31)
SCHEMBL4569226 0.67 NUDT1 (0.50) KDM4ENOS3NOS1NOS2

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 CRHR1 1709/4885KDM4E 3832/4885PKM 2937/4885

“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.