SCHEMBL13409098

SCHEMBL13409098

CCC1OC1CC1OC1CC1OC1CCCCCCCC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.38
PRKCA P17252 2/20 0.34
PRKCE Q02156 2/20 0.34
ACHE P22303 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL835135 0.90 CES2 (0.41) PRKCAPRKCEALDH1A1
SCHEMBL28332885 0.87 ALDH1A1 (0.36) PAOXACHEALDH1A1
SCHEMBL3746246 0.86 GPR84 (0.44) ALDH1A1
SCHEMBL3426528 0.85 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13442940 0.85 MAPT (0.40) PAOX
SCHEMBL13442938 0.85 CNR1 (0.41) PAOXPRKCAPRKCEALDH1A1
SCHEMBL863512 0.84 CES2 (0.45) ALDH1A1
SCHEMBL19628786 0.84 CES2 (0.45) ALDH1A1
SCHEMBL3125935 0.82 TSHR (0.42) PRKCAPRKCEALDH1A1
SCHEMBL19628778 0.80 PAOX (0.42) PAOXPRKCAACHEALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700792-B2 Highly active lysophosphatidic acid and method of screening therewith ONO PHARMACEUTICAL CO., LTD. (JP) 2010-04-20 US disclosed
US-7700792-B2 Highly active lysophosphatidic acid and method of screening therewith ONO PHARMACEUTICAL CO., LTD. (JP) 2010-04-20 US disclosed
US-20070161604-A1 Highly active lysophosphatidic acid and method of screening therewith ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-12 US disclosed
US-20070161604-A1 Highly active lysophosphatidic acid and method of screening therewith ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-12 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-20070161604-A1 Highly active lysophosphatidic acid and method of screening therewith LPAR2, LPAR1, LPAR6 PAOX 340/4885PRKCA 1679/4885PRKCE 2577/4885

“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.