SCHEMBL25906295

SCHEMBL25906295

CC(=O)CCOCCOCC#Cc1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 13/20 0.42
▸ MMP2 P08253 2/20 0.36
▸ MMP12 P39900 2/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ USP5 P45974 1/20 0.34
▸ ALOX5 P09917 1/20 0.33

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
SCHEMBL18591870 0.77 ACACB (0.40) ACACBMMP2MMP12FFAR1USP5
SCHEMBL22964321 0.77 GRM5 (0.37) ACACBMMP2MMP12GRM5ALOX5
SCHEMBL21214839 0.73 GRM5 (0.36) ACACBMMP2MMP12GRM5ALOX5
SCHEMBL18591869 0.73 ACACB (0.37) ACACBMMP2MMP12
SCHEMBL20325131 0.71 GRM5 (0.35) ACACBGRM5ALOX5
SCHEMBL18611814 0.71 ACACB (0.41) ACACB
SCHEMBL22047351 0.71 ACACB (0.41) ACACB
SCHEMBL18611812 0.71 ACACB (0.41) ACACB
SCHEMBL19036905 0.71 GRM5 (0.43) ACACBFFAR1GRM5
SCHEMBL29339386 0.70 ACACB (0.40) ACACB

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-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 — — 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-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC ACACB 593/4885MMP2 608/4885MMP12 1792/4885

“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.

Send feedback