SCHEMBL12239726

SCHEMBL12239726

Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5ccc(-[n+]6ccc(-c7cc[n+](-c8ccc(O)c(-c9ccccc9)c8)cc7)cc6)cc5)cc4)cc3)cc2)cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.42
▸ PELI1 Q96FA3 1/20 0.39
▸ THRA P10827 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ GSTP1 P09211 1/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LTA4H P09960 2/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ BAX Q07812 1/20 0.36
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ ALOX5 P09917 2/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MAOA P21397 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
SCHEMBL13911037 0.91 BACE1 (0.39) BACE1PELI1THRATHRBGSTP1
SCHEMBL12216704 0.89 BACE1 (0.52) BACE1PELI1PTPN1ALDH1A1HPGD
SCHEMBL14255576 0.81 BACE1 (0.43) BACE1PELI1THRATHRBALDH1A1
SCHEMBL13911035 0.81 MEN1 (0.44) BACE1ALDH1A1HSD17B1HSD17B2CA1
SCHEMBL14626397 0.81 FYN (0.41) BACE1PELI1MAOAMAOB
SCHEMBL12240006 0.80 FFAR1 (0.38) GSTP1BCL2L1LTA4HNR1H2BAX
SCHEMBL12239725 0.79 LTA4H (0.50) GSTP1LTA4HNR1H2BAXCA1
SCHEMBL12216703 0.79 LTA4H (0.44) GSTP1LTA4HNR1H2BAXCA1
SCHEMBL12240445 0.79 LTA4H (0.44) GSTP1LTA4HNR1H2BAXCA1
SCHEMBL13943794 0.79 LTA4H (0.50) GSTP1LTA4HNR1H2BAXCA1

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 4 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
US-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME FUJIFILM CORPORATION (JP) 2009-03-26 — — US disclosed
US-20080274423-A1 OPTICAL INFORMATION RECORDING MEDIUM AND METHOD OF RECORDING INFORMATION FUJIFILM CORPORATION (JP) 2008-11-06 — — 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 (2 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-20090082570-A1 METHOD OF MANUFACTURING BIPYRIDINIUM COMPOUND AND SYNTHETIC INTERMEDIATE OF THE SAME, METHOD OF MANUFACTURING DYE COMPOUND, AND NOVEL BIPYRIDINIUM COMPOUND AND NOVEL DYE COMPOUND COMPRISING THE SAME RRS1, RPS3, ADRM1 BACE1 3627/4885PELI1 3349/4885THRA 1139/4885
US-20090130367-A1 CATIONIC COMPOUND, DYE COMPOUND AND METHOD OF USING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM CHRM1, CHRM2, TRPC6 BACE1 1673/4885PELI1 4580/4885THRA 2170/4885

“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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