SCHEMBL12240445

SCHEMBL12240445

c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5ccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9ccccc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 8/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ BAX Q07812 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ GSTP1 P09211 1/20 0.38
▸ SLC22A2 O15244 1/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ SLC22A3 O75751 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ SOS1 Q07889 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ SCN4A P35499 1/20 0.34

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
SCHEMBL12216703 1.00 LTA4H (0.44) LTA4HTSHRCA1CA2NR1H2
SCHEMBL13911039 0.98 LTA4H (0.48) LTA4HTSHRCA1CA2NR1H2
SCHEMBL12240444 0.98 LTA4H (0.42) LTA4HTSHRCA1CA2NR1H2
SCHEMBL13943794 0.96 LTA4H (0.50) LTA4HTSHRCA1CA2NR1H2
SCHEMBL12239725 0.96 LTA4H (0.50) LTA4HTSHRCA1CA2NR1H2
SCHEMBL12240007 0.96 LTA4H (0.50) LTA4HTSHRCA1CA2NR1H2
Hydrochloric Acid SCHEMBL2465409 0.94 LTA4H (0.48) LTA4HTSHRCA1CA2NR1H2
SCHEMBL12240441 0.91 MEN1 (0.44) LTA4HTSHRCA1CA2NR1H2
SCHEMBL12240006 0.89 FFAR1 (0.38) LTA4HTSHRCA1CA2NR1H2
SCHEMBL13911060 0.89 MAOB (0.42) LTA4HTSHRCA1CA2NR1H2

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 LTA4H 3503/4885TSHR 398/4885CA1 4365/4885
US-20090130367-A1 CATIONIC COMPOUND, DYE COMPOUND AND METHOD OF USING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM CHRM1, CHRM2, TRPC6 LTA4H 2892/4885TSHR 1520/4885CA1 296/4885

“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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