SCHEMBL13686644

SCHEMBL13686644

COC(=O)C(C)(C)COC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
DGAT1 O75907 2/20 0.37
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BTN3A1 O00481 4/20 0.33
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ELANE P08246 1/20 0.31
PRSS1 P07477 1/20 0.30
CTSG P08311 1/20 0.30
CTRB1 P17538 1/20 0.30
CMA1 P23946 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
SCHEMBL19457901 0.84 DGAT1 (0.38) DGAT1CYP4F2CYP4A11PRSS1CTSG
SCHEMBL2607865 0.82 ALDH1A1 (0.39) DGAT1GAARAB9APRSS1CTSG
SCHEMBL12231044 0.82 DGAT1 (0.37) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL14351453 0.82 DGAT1 (0.37) PRKCADGAT1PRSS1CTSGCTRB1
SCHEMBL12231043 0.82 DGAT1 (0.37) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL17574066 0.80 DGAT1 (0.42) DGAT1GAAPRSS1CTSGCTRB1
SCHEMBL17180596 0.80 LMNA (0.48) DGAT1POLBRAB9A
SCHEMBL29222503 0.80 DGAT1 (0.35) DGAT1
SCHEMBL4134551 0.79 PRKCA (0.39) PRKCACYP4F2CYP4A11POLBGAA
SCHEMBL8830577 0.79 PRKCA (0.39) PRKCACYP4F2CYP4A11POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3816149-A1 ISOBUTYRIC ESTER COMPOUND HAVING BUTYRYLOXY GROUP OR PIVALOYLOXY GROUP AT ? POSITION, AND PERFUME COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-05 EP disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 PRKCA 3929/4885DGAT1 4737/4885CYP4F2 55/4885

“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.