SCHEMBL30212100

SCHEMBL30212100

CC(=O)C1=C(O)C(C)(C)C(=O)C=C1O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.35
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
BRCA1 P38398 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13034002 0.67 G6PD (0.37) FASNKMT2A
SCHEMBL9371641 0.67 FASN (0.44) FASN
SCHEMBL2988846 0.63
SCHEMBL1917003 0.60 HSP90AA1 (0.34) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL13447522 0.58
SCHEMBL11349176 0.52 MEN1 (0.30) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Acetic Acid SCHEMBL27489921 0.52 FFAR3 (0.39) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL5609964 0.50
SCHEMBL27995470 0.50 MEN1 (0.35) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL2594729 0.50

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-12178790-B2 Antibacterial compound isolated from Psiloxylon mauritianum and its derivatives SORRES, Jonathan (FR) 2024-12-31 US disclosed
US-20230062900-A1 NEW ANTIBACTERIAL COMPOUND ISOLATED FROM PSILOXYLON MAURITIANUM AND ITS DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2023-03-02 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 (2 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-20230062900-A1 NEW ANTIBACTERIAL COMPOUND ISOLATED FROM PSILOXYLON MAURITIANUM AND ITS DERIVATIVES PNN, AAAS, MRPS35 FASN 37/4885MEN1 2121/4885KMT2A 4246/4885
US-12178790-B2 Antibacterial compound isolated from Psiloxylon mauritianum and its derivatives AAAS, PNN, MRPL9 FASN 27/4885MEN1 1932/4885KMT2A 4078/4885

“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.