SCHEMBL4453693

SCHEMBL4453693

C/C=C(/CC)c1cccc(C(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.53
GABRB2 P47870 4/20 0.53
CYP1A2 P05177 3/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
TSHR P16473 2/20 0.53
HIF1A Q16665 2/20 0.53
CYP3A4 P08684 2/20 0.53
FAAH O00519 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
GABRB1 P18505 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL4453695 1.00 GABRA1 (0.53) GABRA1GABRB2CYP1A2GABRG2GABRB3
SCHEMBL13623828 1.00 GABRA1 (0.53) GABRA1GABRB2CYP1A2GABRG2GABRB3
SCHEMBL4457749 0.77 GABRA1 (0.55) GABRA1GABRB2CYP1A2GABRG2GABRB3
SCHEMBL13640203 0.75 CA1 (0.38) GABRA1GABRB2CYP1A2CYP3A4CA1
Propofol SCHEMBL29176295 0.73 GABRA1 (0.81) GABRA1GABRB2CYP1A2GABRG2GABRB3
SCHEMBL19329438 0.73 GABRA1 (0.59) GABRA1GABRB2CYP1A2GABRG2GABRB3
Propofol SCHEMBL36245 0.72 GABRA1 (1.00) GABRA1GABRB2CYP1A2GABRG2GABRB3
Propofol SCHEMBL2414429 0.72 GABRA1 (1.00) GABRA1GABRB2CYP1A2GABRG2GABRB3
SCHEMBL31123826 0.72 GABRA1 (0.64) GABRA1GABRB2CYP1A2GABRG2GABRB3
SCHEMBL8680640 0.72 GABRA1 (0.64) GABRA1GABRB2CYP1A2GABRG2GABRB3

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 14/4885GABRB2 67/4885CYP1A2 76/4885

“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.