SCHEMBL13640224

SCHEMBL13640224

CC(=O)c1cc(C)cc(C(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
HTT P42858 2/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GABRA1 P14867 5/20 0.41
GABRB1 P18505 4/20 0.41
GABRB2 P47870 2/20 0.41
BCL2 P10415 2/20 0.41
MCL1 Q07820 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL27658629 0.85 KDM4E (0.47) GAAHTTCA1CA2GABRA1
Benzene SCHEMBL9247233 0.83 BCL2 (0.46) GAAHTTCA1CA2GABRA1
SCHEMBL9945914 0.82 SMN1; SMN2 (0.38) GAAHTTLMNA
SCHEMBL910132 0.81 KDM4E (0.47) HTTCA2MCL1ALDH1A1
SCHEMBL5337349 0.81 GABRA1 (0.57) GAAHTTCA1CA2GABRA1
SCHEMBL13640204 0.81 CA1 (0.43) GAAHTTCA1CA2GABRA1
SCHEMBL13640243 0.80 PKM (0.42) GAAHTTCA1CA2GABRA1
SCHEMBL6837803 0.79 GABRA1 (0.64) GAAHTTCA1CA2GABRA1
SCHEMBL544651 0.79 CA1 (0.67) GAAHTTCA1CA2GABRA1
SCHEMBL471443 0.75 KDM4E (0.46) GAACA1CA2MCL1LMNA

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-20120283335-A1 Analogs of Propofol, Preparation Thereof and Use as Anesthetics SIGNATURE THERAPEUTICS, INC. 2012-11-08 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-20120283335-A1 Analogs of Propofol, Preparation Thereof and Use as Anesthetics GABRP, CYP4F11, CYP2F1 GAA 4268/4885HTT 2402/4885CA1 2438/4885

“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.