SCHEMBL12240441

SCHEMBL12240441

c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5cccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9ccccc9)cc8)cc7)cc6)c5)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ NLRP1 Q9C000 1/20 0.44
▸ NOD2 Q9HC29 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ LTA4H P09960 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GSTP1 P09211 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40

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
SCHEMBL12239729 0.98 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MITFALDH1A1
SCHEMBL13911060 0.95 MAOB (0.42) MEN1KMT2ASMN1; SMN2MITFALDH1A1
SCHEMBL12240001 0.95 MAOB (0.42) MEN1KMT2ASMN1; SMN2MITFALDH1A1
SCHEMBL13911039 0.93 LTA4H (0.48) MEN1KMT2ALTA4HTSHRGSTP1
SCHEMBL12240440 0.91 MAOB (0.40) MEN1KMT2ASMN1; SMN2MITFALDH1A1
SCHEMBL12240445 0.91 LTA4H (0.44) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL12216703 0.91 LTA4H (0.44) LTA4HTSHRGSTP1NPC1RAB9A
SCHEMBL12239725 0.91 LTA4H (0.50) MEN1KMT2ALTA4HTSHRGSTP1
SCHEMBL13943794 0.91 LTA4H (0.50) MEN1KMT2ALTA4HTSHRGSTP1
SCHEMBL12240007 0.91 LTA4H (0.50) MEN1KMT2ALTA4HTSHRGSTP1

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 MEN1 2975/4885KMT2A 2647/4885SMN1; SMN2 3677/4885
US-20090130367-A1 CATIONIC COMPOUND, DYE COMPOUND AND METHOD OF USING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM CHRM1, CHRM2, TRPC6 MEN1 161/4885KMT2A 2727/4885SMN1; SMN2 1228/4885

“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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