SCHEMBL4313398

SCHEMBL4313398

CCC(C)c1c(C)ccc(C(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.42
LMNA P02545 4/20 0.42
GABRB1 P18505 4/20 0.42
GABRB2 P47870 3/20 0.42
TSHR P16473 2/20 0.42
SLC6A2 P23975 2/20 0.42
HTR2B P41595 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PTGS1 P23219 2/20 0.42
HPGD P15428 2/20 0.42
FAAH O00519 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GABRG2 P18507 1/20 0.42
HTR2C P28335 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL7262436 0.91 TSHR (0.47) GABRA1LMNAGABRB1GABRB2TSHR
SCHEMBL1487336 0.82 GABRA1 (0.50) GABRA1LMNAGABRB1GABRB2TSHR
SCHEMBL30411767 0.82 GABRA1 (0.50) GABRA1LMNAGABRB1GABRB2TSHR
SCHEMBL29477985 0.80 GABRA1 (0.48) GABRA1LMNAGABRB1GABRB2TSHR
Potassium SCHEMBL30893108 0.80 GABRA1 (0.48) GABRA1LMNAGABRB1GABRB2TSHR
SCHEMBL9643710 0.79 TSHR (0.47) GABRA1LMNAGABRB1GABRB2TSHR
SCHEMBL21767240 0.78 TSHR (0.54) GABRA1LMNAGABRB1GABRB2TSHR
SCHEMBL1494556 0.75 GABRA1 (0.56) GABRA1LMNAGABRB1GABRB2TSHR
SCHEMBL10779462 0.75 TSHR (0.45) TSHRPTGS1HPGDCYP1A2CYP3A4
SCHEMBL311660 0.74 TYR (0.38) TSHRALDH1A1PKM

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 2 patents. 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
WO-2009140275-A1 ANALOGS OF PROPOFOL, PREPARATION THEREOF AND USE AS ANESTHETICS PHARMACOFORE, INC. (US) 2009-11-19 WO 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 GABRA1 14/4885LMNA 1435/4885GABRB1 44/4885

“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.