SCHEMBL7609211

SCHEMBL7609211

CC(Oc1ccc(C=O)cc1)c1noc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.37
PTGS1 P23219 4/20 0.36
PTGS2 P35354 3/20 0.33
GRM5 P41594 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
SCHEMBL7609215 0.76 PPARA (0.45)
SCHEMBL6966288 0.69 HSD17B10 (0.47) PTGS1PTGS2
SCHEMBL6958646 0.68 PPARG (0.42) PTGS1
SCHEMBL6964821 0.68 PPARA (0.52)
SCHEMBL7584952 0.67 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL6966942 0.67 PPARG (0.38) PTGS1PTGS2
SCHEMBL9179424 0.67 CA1 (0.53) PTGS1PTGS2
SCHEMBL3456562 0.66 ALDH1A3 (0.59) ALDH1A3
SCHEMBL9180939 0.66 PTGS1 (0.45) PTGS1PTGS2
SCHEMBL6544826 0.66 MEN1 (0.34) ALDH1A3

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-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS PANETTA JILL ANN (US) 2002-05-30 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-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS NLN, GAP43, TXN2 ALDH1A3 465/4885PTGS1 453/4885PTGS2 416/4885

“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.