SCHEMBL8325199

SCHEMBL8325199

COC(=O)/C=C/c1ccc(OCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.58
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ TYR P14679 1/20 0.58
▸ CA7 P43166 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ CA14 Q9ULX7 1/20 0.58
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ GSK3B P49841 1/20 0.53
▸ PTGS2 P35354 1/20 0.52
▸ FFAR1 O14842 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ PPARD Q03181 1/20 0.52
▸ PPARA Q07869 1/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51

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
SCHEMBL8406884 0.88 CA12 (0.58) CA12CA1CA2TYRCA7
SCHEMBL4270957 0.88 PTGS2 (0.68) CA12CA1CA2TYRCA7
SCHEMBL8406886 0.88 CA12 (0.58) CA12CA1CA2TYRCA7
SCHEMBL713287 0.88 PTGS2 (0.68) CA12CA1CA2TYRCA7
SCHEMBL14634610 0.84 CA12 (0.62) CA12CA1CA2TYRCA7
SCHEMBL2775096 0.84 MAOB (0.64) CA12CA1CA2TYRCA7
SCHEMBL2775098 0.84 MAOB (0.64) CA12CA1CA2TYRCA7
SCHEMBL14634609 0.84 CA12 (0.62) CA12CA1CA2TYRCA7
SCHEMBL29052060 0.83 KMT2A (0.59) MEN1KMT2AGSK3BFFAR1PPARG
SCHEMBL11693509 0.83 THRB (0.61) CA12CA1CA2TYRCA7

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-20230200386-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS HERBICIDES IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-06-29 — — US disclosed
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 — — 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-20230200386-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS HERBICIDES DDT, CYP4B1, GSTO1 CA12 2533/4885CA1 1211/4885CA2 2516/4885

“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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