SCHEMBL13320157

SCHEMBL13320157

CCc1ccoc(=O)c1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CTRC Q99895 1/20 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
SCHEMBL12948196 0.77 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL12168967 0.75 KDM4E (0.38) KDM4EMAPK1
SCHEMBL28594543 0.75 GABRA1 (0.48) KDM4EMAPK1GABRA1GABRB2CTRC
SCHEMBL16382260 0.72 KDM4E (0.54) KDM4EMAPK1GABRA1GABRB2CTRC
SCHEMBL12188715 0.72 KDM4E (0.39) KDM4EMAPK1GABRA1GABRB2CTRC
SCHEMBL19940597 0.69 GABRA1 (0.56) GABRA1GABRB2
SCHEMBL15782818 0.67 CA12 (0.47) KDM4EMAPK1
SCHEMBL9495647 0.66 HSD17B10 (0.33) GABRA1GABRB2CTRC
SCHEMBL981305 0.66
SCHEMBL12596204 0.65 NPC1 (0.33) MAPK1GABRA1GABRB2

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-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 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-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A KDM4E 1865/4885MAPK1 1096/4885GABRA1 1427/4885

“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.