SCHEMBL21087403

SCHEMBL21087403

CCC(C)CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCCn1cc(CCC(C)=O)nn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.43
▸ DGAT1 O75907 8/20 0.41
▸ GLP1R P43220 7/20 0.39
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 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
SCHEMBL21087193 0.93 FOLH1 (0.44) FOLH1DGAT1GLP1RHDAC3HDAC4
SCHEMBL19369589 0.90 EPHX2 (0.43) FOLH1GLP1RHDAC3HDAC4HDAC1
SCHEMBL21087310 0.86 DGAT1 (0.43) FOLH1DGAT1
SCHEMBL21118058 0.86 DGAT1 (0.42) FOLH1DGAT1
SCHEMBL21087194 0.85 FOLH1 (0.44) FOLH1DGAT1GLP1RHDAC3HDAC4
SCHEMBL21087448 0.85 GLP1R (0.52) FOLH1DGAT1GLP1R
SCHEMBL21087165 0.85 DGAT1 (0.42) FOLH1DGAT1
SCHEMBL21117258 0.83 GLP1R (0.43) FOLH1GLP1RHDAC3HDAC4HDAC1
SCHEMBL21117257 0.83 GLP1R (0.43) FOLH1GLP1RHDAC3HDAC4HDAC1
SCHEMBL21087164 0.80 DGAT1 (0.42) FOLH1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20190175744-A1 INSULIN-INCRETIN CONJUGATES GIPR, GLP1R, GCGR FOLH1 320/4885DGAT1 315/4885GLP1R 2/4885

“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.

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