SCHEMBL13640204

SCHEMBL13640204

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
GABRA1 P14867 5/20 0.41
GABRB1 P18505 4/20 0.41
GABRB2 P47870 3/20 0.41
LMNA P02545 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2B P41595 2/20 0.38
TRPA1 O75762 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
GAA P10253 2/20 0.38
GSR P00390 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
FAAH O00519 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL13640224 0.81 GAA (0.46) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL544651 0.79 CA1 (0.67) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL27658629 0.77 KDM4E (0.47) CA1CA2GABRA1GABRB1GABRB2
Benzene SCHEMBL9247233 0.76 BCL2 (0.46) CA1CA2GABRA1GABRB1LMNA
SCHEMBL19439615 0.74 CA1 (0.48) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL13640243 0.73 PKM (0.42) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL4402447 0.73 CA1 (0.52) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL7942520 0.73 GABRA1 (0.61) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL4612220 0.73 CA1 (0.52) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL12352193 0.73 CA1 (0.58) CA1CA2GABRA1GABRB1GABRB2

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 CA1 2438/4885CA2 2706/4885GABRA1 14/4885

“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.