SCHEMBL25529804

SCHEMBL25529804

CC1Oc2cccc(C(C)(C)C)c2O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KIF11 P52732 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
SCHEMBL24656868 0.82
SCHEMBL21279960 0.79 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL25465449 0.77 CA2 (0.35) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8900216 0.74 BRD4 (0.38) CA2ALDH1A1TSHR
SCHEMBL90930 0.74 BRD4 (0.38) CA2ALDH1A1TSHR
SCHEMBL15580435 0.73 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL17818432 0.72 CHRNB4 (0.41) CA2ALDH1A1TDP1
SCHEMBL25121292 0.72 P2RY6 (0.30)
SCHEMBL4498507 0.72 CHRNB4 (0.41) ALDH1A1TSHRTDP1
SCHEMBL8974576 0.72 CA2 (0.34) CA2GABRA1GABRB2

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-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 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-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CA2 4029/4885GABRA1 764/4885GABRB2 482/4885

“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.