SCHEMBL9724896

SCHEMBL9724896

CC(=O)OCC1COCO1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
PDK1 Q15118 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
NLRP3 Q96P20 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.34
MGLL Q99685 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL28725398 0.86 ALDH1A1 (0.64) ALDH1A1PDK1TP53CYP3A4NLRP3
SCHEMBL813943 0.86
SCHEMBL2928403 0.86
SCHEMBL15440362 0.86
SCHEMBL7153238 0.84 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4IRAK4MGLL
SCHEMBL3806824 0.84 ALDH1A1 (0.62) ALDH1A1PDK1TP53CYP3A4NLRP3
Methane SCHEMBL6359894 0.84
SCHEMBL3803240 0.84 ALDH1A1 (0.62) ALDH1A1PDK1TP53CYP3A4NLRP3
SCHEMBL17522501 0.83 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4IRAK4MGLL
SCHEMBL2220998 0.83 ALDH1A1 (0.49) ALDH1A1PDK1TP53CYP3A4NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4217940-A None JP disclosed
EP-3608308-B1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2021-07-21 EP disclosed
US-20170196979-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2017-07-13 US disclosed
JP-H04217940-A ANTI-VIRAL COMPOUND MERCK & CO INC 1992-08-07 JP disclosed
US-4816447-A HERPES VIRUS MERCK & CO., INC. (US) 1989-03-28 US disclosed
EP-0074306-B1 ANTI-VIRAL GUANINE DERIVATIVES MERCK & CO. INC. (US) 1988-06-01 EP disclosed
EP-0165164-A1 Anti-viral compounds, their preparation and anti-viral compositions MERCK & CO. INC. (US) 1985-12-18 EP disclosed
EP-0074306-A2 Anti-viral guanine derivatives MERCK & CO. INC. (US) 1983-03-16 EP 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-20170196979-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS LIPA, LPAR1, LPAR4 ALDH1A1 2488/4885PDK1 2353/4885TP53 3782/4885

“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.