SCHEMBL26805791

SCHEMBL26805791

O=C(O)C1=CCC(C(=O)O)CC1P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABAT P80404 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
SCHEMBL26805245 0.73 ABAT (0.36) ABAT
SCHEMBL24294001 0.70 ABAT (0.34) ABAT
SCHEMBL24293988 0.67 ABAT (0.32) ABAT
SCHEMBL24294215 0.66 APLNR (0.32) ABAT
SCHEMBL963370 0.62 GABRR1 (0.35) —
SCHEMBL24294266 0.62 GABRP (0.32) ABAT
SCHEMBL13383605 0.59 TSHR (0.61) ABAT
SCHEMBL12836372 0.59 TSHR (0.40) ABAT
SCHEMBL12491828 0.59 GABRR1 (0.57) ABAT
SCHEMBL5966217 0.58 ABAT (0.48) ABAT

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-20230373895-A1 ISOMERIZATION OF CYCLOHEXENEDICARBOXYLIC ACID AND ITS DERIVATIVES UNITED STATES DEPARTMENT OF ENERGY 2023-11-23 — — 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-20230373895-A1 ISOMERIZATION OF CYCLOHEXENEDICARBOXYLIC ACID AND ITS DERIVATIVES CYP17A1, CYP21A2, CYP19A1 ABAT 1172/4885

“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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