SCHEMBL12240446

SCHEMBL12240446

O=C(c1ccccc1)c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5ccc(-[n+]6ccc(-c7cc[n+](-c8ccc(C(=O)c9ccccc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 4/20 0.56
▸ POLB P06746 1/20 0.51
▸ ACACB O00763 1/20 0.49
▸ ACACA Q13085 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ ELANE P08246 4/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PARP10 Q53GL7 1/20 0.45
▸ PGR P06401 1/20 0.44
▸ STS P08842 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1108033 0.90 RAB9A (0.55) SRD5A2POLBGAAELANEMEN1
SCHEMBL12544643 0.87 RAB9A (0.56) SRD5A2POLBMEN1LMNAMAPT
SCHEMBL12239728 0.87 RAB9A (0.50) SRD5A2POLBGAAMEN1LMNA
SCHEMBL13355627 0.84 MEN1 (0.68) SRD5A2POLBMEN1LMNAMAPT
SCHEMBL13021244 0.83 SRD5A2 (0.63) SRD5A2GAALMNAMAPTRAB9A
SCHEMBL12239725 0.83 LTA4H (0.50) SRD5A2MEN1RAB9AKMT2APARP10
SCHEMBL12216703 0.83 LTA4H (0.44) RAB9APARP10PGR
SCHEMBL12240445 0.83 LTA4H (0.44) RAB9APARP10PGR
SCHEMBL13943794 0.83 LTA4H (0.50) SRD5A2MEN1RAB9AKMT2APARP10
SCHEMBL12240007 0.83 LTA4H (0.50) SRD5A2MEN1RAB9AKMT2APARP10

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 SRD5A2 226/4885POLB 3792/4885ACACB 4004/4885
US-20090130367-A1 CATIONIC COMPOUND, DYE COMPOUND AND METHOD OF USING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM CHRM1, CHRM2, TRPC6 SRD5A2 1298/4885POLB 4597/4885ACACB 4725/4885

“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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