SCHEMBL13019254

SCHEMBL13019254

CC(=O)C(C)CCCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
CA1 P00915 2/20 0.35
BLM P54132 1/20 0.34
KISS1R Q969F8 1/20 0.34
LTA4H P09960 1/20 0.31
REN P00797 1/20 0.31
GABRR1 P24046 2/20 0.30
CYP1A2 P05177 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
SCHEMBL25927435 1.00 ACACB (0.36) ACACBACACACA1BLMKISS1R
SCHEMBL996508 0.84 ALDH1A1 (0.39) ACACBACACACA1BLMKISS1R
SCHEMBL12153331 0.82 CA1 (0.48) CA1BLMKISS1RLTA4HGABRR1
SCHEMBL20825612 0.81 BLM (0.54) ACACBACACACA1BLMLTA4H
SCHEMBL12153332 0.79 CA1 (0.46) ACACBACACACA1BLMLTA4H
SCHEMBL25939092 0.79 ACACB (0.35) ACACBACACACA1BLMLTA4H
SCHEMBL9580 0.79 CA1 (0.39) ACACBACACACA1BLMLTA4H
SCHEMBL2692582 0.79 ALDH1A1 (0.44) ACACBACACACA1BLMKISS1R
SCHEMBL15383712 0.78 ACACB (0.33) ACACBACACAKISS1R
SCHEMBL17431017 0.77 LTA4H (0.50) ACACBACACACA1BLMLTA4H

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-20170275230-A1 TERPENE-DERIVED ACIDS AND ESTERS AND METHODS FOR PREPARING AND USING SAME P2 SCIENCE, INC. (US) 2017-09-28 US disclosed
US-7842842-B1 Hydro-alkoxyl citronellal compounds—synthetic routes, compositions and uses thereof SAMI LABS LTD. (IN) 2010-11-30 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-20170275230-A1 TERPENE-DERIVED ACIDS AND ESTERS AND METHODS FOR PREPARING AND USING SAME GGPS1, CYP51A1, LSS ACACB 207/4885ACACA 143/4885CA1 2001/4885

“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.