SCHEMBL21087174

SCHEMBL21087174

CC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCCCC(C)C)nn1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.56
FOLH1 Q04609 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL21087021 1.00 DGAT1 (0.56) DGAT1FOLH1MMP2MMP9MMP8
SCHEMBL21087308 1.00 DGAT1 (0.56) DGAT1FOLH1MMP2MMP9MMP8
SCHEMBL21118015 1.00 DGAT1 (0.56) DGAT1FOLH1MMP2MMP9MMP8
SCHEMBL21087030 1.00 DGAT1 (0.56) DGAT1FOLH1MMP2MMP9MMP8
SCHEMBL21117967 1.00 DGAT1 (0.56) DGAT1FOLH1MMP2MMP9MMP8
SCHEMBL21087400 1.00 DGAT1 (0.56) DGAT1FOLH1MMP2MMP9MMP8
SCHEMBL21087023 0.97 DGAT1 (0.54) DGAT1FOLH1MMP2MMP9MMP8
SCHEMBL21117940 0.91 DGAT1 (0.55) DGAT1FOLH1MMP2MMP9MMP8
SCHEMBL21087205 0.91 DGAT1 (0.51) DGAT1FOLH1MMP2MMP9MMP8
SCHEMBL21118069 0.90 DGAT1 (0.56) DGAT1FOLH1MMP2MMP9MMP8

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
US-11058775-B2 Insulin dimer-incretin conjugates MERCK SHARP & DOHME CORP. (US) 2021-07-13 US disclosed
US-20190192675-A1 INSULIN DIMER-INCRETIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2019-06-27 US disclosed
US-20190175744-A1 INSULIN-INCRETIN CONJUGATES 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 (3 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-20190175744-A1 INSULIN-INCRETIN CONJUGATES GIPR, GLP1R, GCGR DGAT1 315/4885FOLH1 320/4885MMP2 3067/4885
US-20190192675-A1 INSULIN DIMER-INCRETIN CONJUGATES IAPP, GLP1R, GIPR DGAT1 581/4885FOLH1 175/4885MMP2 1455/4885
US-11058775-B2 Insulin dimer-incretin conjugates IAPP, GLP1R, GIPR DGAT1 581/4885FOLH1 175/4885MMP2 1455/4885

“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.