SCHEMBL21363085

SCHEMBL21363085

Cc1ccc(C(=O)OC(=O)c2ccc(C)[nH]2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMBS P08397 1/20 0.43
KDM4E B2RXH2 5/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
MMP12 P39900 7/20 0.35
MMP2 P08253 6/20 0.35
MMP9 P14780 6/20 0.35
MMP1 P03956 5/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 4/20 0.33
HSD17B10 Q99714 3/20 0.33
USP2 O75604 1/20 0.33
SPR P35270 1/20 0.33
ALDH1A1 P00352 4/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ESR1 P03372 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 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
SCHEMBL3551459 0.84 GAA (0.58) HMBSKDM4EGLAGAAMMP2
SCHEMBL402047 0.81 LMNA (0.51) KDM4EGLAGAAMMP2LMNA
SCHEMBL28670649 0.74
SCHEMBL7193830 0.74 GABRA1 (0.39) KDM4EGLAGAAMMP12MMP2
SCHEMBL1126943 0.71 HMBS (0.42) HMBSKDM4EHPGDHSD17B10USP2
SCHEMBL18900582 0.71 HMBS (0.42) HMBSKDM4EGAAMMP12MMP2
SCHEMBL17624955 0.71 ALOX15 (0.42) HMBSGAAHPGDSMN1; SMN2NPC1
SCHEMBL509243 0.70 ALDH1A1 (0.40) HMBSKDM4EGAALMNAHPGD
SCHEMBL3623797 0.70 HMBS (0.40) HMBSKDM4EHPGDHSD17B10USP2
SCHEMBL70624 0.69 GAA (0.67) KDM4EGLAGAAMMP2LMNA

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
WO-2024226422-A1 HELICASE DEGRADERS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-10-31 WO disclosed
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
WO-2019178119-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-09-19 WO 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 HMBS 48/4885KDM4E 3551/4885GLA 325/4885

“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.