SCHEMBL21734082

SCHEMBL21734082

CC(C)CC(C)(C)C(=O)OCC(COC(=O)C(C)(C)CC(C)C)(COC(=O)C(C)(C)CC(C)C)COC(=O)C(C)(C)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.44
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL15521269 0.84 HTT (0.45) MMP8CYP4F2CYP4A11
SCHEMBL26999328 0.82 MMP8 (0.34) MMP8
SCHEMBL7857447 0.81 MMP8 (0.59) MMP8CYP4F2CYP4A11
SCHEMBL28261535 0.81 TSHR (0.42) MMP8CYP4F2CYP4A11MAPK1
SCHEMBL22590295 0.81 MMP8 (0.35) MMP8CYP4F2CYP4A11
SCHEMBL22562731 0.80 MMP8 (0.42) MMP8CYP4F2CYP4A11
SCHEMBL24059176 0.79 MMP8 (0.41) MMP8CYP4F2CYP4A11
SCHEMBL22481807 0.78 MMP8 (0.38) MMP8CYP4F2CYP4A11
SCHEMBL20100216 0.77 ALDH1A1 (0.34) MMP8MAPK1HIF1A
SCHEMBL16638216 0.76 MMP8 (0.39) MMP8CYP4F2CYP4A11

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-11873374-B2 Swellable and structurally homogenous hydrogels and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-01-16 US disclosed
US-20200054592-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2020-02-20 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-20200054592-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS MKI67, TP53, PCNA MMP8 1993/4885CYP4F2 4752/4885CYP4A11 4406/4885

“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.