SCHEMBL12216708

SCHEMBL12216708

CCOC(=O)CCC1(C)OC(=O)C(=C/C=C/C=C/C2=C(O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C(O)OC(C)(CCC(=O)OOO)OC3=O)C(=O)O4)OC2=O)C(=O)O1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 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
SCHEMBL12715247 0.94 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12715429 0.94 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12715207 0.91 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12715175 0.91 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12715204 0.91 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14196936 0.89 APP (0.31) ALDH1A1
SCHEMBL12744318 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14005791 0.87 ALDH1A1 (0.30) ALDH1A1
SCHEMBL13919343 0.85 — —
SCHEMBL12715233 0.84 PRKCA (0.30) —

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-8039630-B2 Cationic compound, dye compound and method of using the same, and optical information recording medium FUJIFILM CORPORATION (JP) 2011-10-18 — — US disclosed
US-20090130367-A1 CATIONIC COMPOUND, DYE COMPOUND AND METHOD OF USING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-05-21 — — 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-20090130367-A1 CATIONIC COMPOUND, DYE COMPOUND AND METHOD OF USING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM CHRM1, CHRM2, TRPC6 ALDH1A1 1010/4885

“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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