SCHEMBL12216648

SCHEMBL12216648

CC(=Cc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O)C=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.36
▸ GAA P10253 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ABCB11 O95342 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ MAOB P27338 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NR1H4 Q96RI1 2/20 0.32
▸ CASP1 P29466 1/20 0.31

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
SCHEMBL12511897 0.81 MAPT (0.47) ALDH1A1MAPTGAALMNAALOX15
SCHEMBL13019509 0.76 ALDH1A1 (0.39) ALDH1A1MAPTLMNAALOX15KMT2A
SCHEMBL12715299 0.74 ALDH1A1 (0.38) ALDH1A1MAPTGAALMNAALOX15
SCHEMBL12216645 0.74 ALDH1A1 (0.38) ALDH1A1MAPTGAALMNAALOX15
SCHEMBL13966824 0.70 ALDH1A1 (0.49) ALDH1A1MAPTALOX15KMT2AMEN1
SCHEMBL13890918 0.68 ALDH1A1 (0.34) ALDH1A1MAPTGAALMNAALOX15
SCHEMBL16317102 0.67 MAPT (0.47) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL6261982 0.64 BCHE (0.53) ALDH1A1MAPTALOX15KMT2AMEN1
SCHEMBL12511299 0.64 ALDH1A1 (0.53) ALDH1A1MAPTLMNAALOX15KMT2A
SCHEMBL13716111 0.63 NR1H4 (0.44) ALDH1A1GAALMNAKMT2AMEN1

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 6 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-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
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
US-20080165668-A1 RECORDING MEDIUM AND INFORMATION RECORDING AND REPRODUCING METHOD USING THE SAME FUJIFILM CORPORATION 2008-07-10 — — US disclosed
US-20080165668-A1 RECORDING MEDIUM AND INFORMATION RECORDING AND REPRODUCING METHOD USING THE SAME FUJIFILM CORPORATION 2008-07-10 — — 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 1010/4885MAPT 3569/4885GAA 4416/4885

“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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