SCHEMBL25579751

SCHEMBL25579751

CC(C)C(=O)CCOCCOCc1cn(C)nn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.41
MMP2 P08253 7/20 0.37
MMP9 P14780 7/20 0.37
MMP8 P22894 7/20 0.37
MMP13 P45452 7/20 0.37
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.33
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL25579749 1.00 DGAT1 (0.41) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL18751726 0.87 DGAT1 (0.48) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL18751731 0.84 DGAT1 (0.53) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL22803422 0.81 DGAT1 (0.41) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL20999887 0.81 DGAT1 (0.44) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21118069 0.81 DGAT1 (0.56) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21118026 0.81 DGAT1 (0.56) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21118014 0.81 DGAT1 (0.56) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL21117970 0.81 DGAT1 (0.56) DGAT1MMP2MMP9MMP8MMP13
SCHEMBL19704939 0.81 DGAT1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158141-A1 Conjugates of Biomolecule and Use Thereof YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOG (CN) 2023-05-25 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-20230158141-A1 Conjugates of Biomolecule and Use Thereof CD47, FCGR2A, CD40 DGAT1 2874/4885MMP2 88/4885MMP9 74/4885

“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.