SCHEMBL23836841

SCHEMBL23836841

CC(c1ccccc1)C1C(=O)OC(=O)C1CC(c1ccccc1)C1C(=O)OC(=O)C1CC(c1ccccc1)C1CC(=O)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.32

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
SCHEMBL24064823 0.90 CYP2C9 (0.36) CYP2C9ALDH1A1
SCHEMBL4762196 0.76 ALDH1A1 (0.46) ALDH1A1PKMMCOLN3
SCHEMBL14047364 0.75 ALDH1A1 (0.36) CYP2C9ALDH1A1PKM
SCHEMBL15743621 0.72 CYP2C9 (0.39) CYP2C9ALDH1A1
SCHEMBL14307280 0.68 FASN (0.30)
SCHEMBL12866132 0.67 CYP2C9 (0.44) CYP2C9ALDH1A1
SCHEMBL21845024 0.66 ALDH1A1 (0.33) ALDH1A1PKMMCOLN3
SCHEMBL14495989 0.66 CYP2C9 (0.36) CYP2C9ALDH1A1PKMMCOLN3
SCHEMBL13948387 0.66 CYP2C9 (0.36) CYP2C9ALDH1A1PKMMCOLN3
SCHEMBL10331497 0.66 CYP2C9 (0.36) CYP2C9ALDH1A1PKMMCOLN3

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-11124462-B1 Compositions and their use in agricultural applications Hocking International Laboratories, LLC (US) 2021-09-21 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-11124462-B1 Compositions and their use in agricultural applications DCPS, DCTD, DBF4 CYP2C9 2733/4885ALDH1A1 3487/4885PKM 1483/4885

“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.