SCHEMBL21100148

SCHEMBL21100148

CCC(C)C(=O)CCOCCOCCOCCOCc1cn(CCOCCOCCC(=O)C(C)C)nn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.44
MMP2 P08253 8/20 0.40
MMP9 P14780 8/20 0.40
MMP8 P22894 8/20 0.40
MMP13 P45452 8/20 0.40
ABCC1 P33527 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
ABCB1 P08183 2/20 0.37
NCF1 P14598 2/20 0.37
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL20999887 1.00 DGAT1 (0.44) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL18751726 0.93 DGAT1 (0.48) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL18768886 0.91 DGAT1 (0.45) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21099982 0.89 DGAT1 (0.42) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL19704939 0.89 DGAT1 (0.44) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21087464 0.86 DGAT1 (0.53) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21099971 0.86 DGAT1 (0.43) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL18751731 0.85 DGAT1 (0.53) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21118070 0.85 DGAT1 (0.54) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21087465 0.85 DGAT1 (0.54) DGAT1MMP2MMP9MMP8MMP13

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-10689430-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-06-13 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 (2 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-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 DGAT1 1239/4885MMP2 2692/4885MMP9 4828/4885
US-10689430-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 DGAT1 1239/4885MMP2 2692/4885MMP9 4828/4885

“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.