SCHEMBL12239728

SCHEMBL12239728

O=C(c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)cc1)c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ SRD5A2 P31213 2/20 0.47
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ ATM Q13315 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ CDC25B P30305 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPK13 O15264 1/20 0.41

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 0.96 RAB9A (0.55) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL12544643 0.93 RAB9A (0.56) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL13355627 0.90 MEN1 (0.68) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL12905320 0.89 TSHR (0.48) RAB9ASRD5A2CA1CA2NPC1
SCHEMBL12948078 0.88 ALDH1A1 (0.52) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL12240446 0.87 SRD5A2 (0.56) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL25583322 0.86 ALDH1A1 (0.61) RAB9AMEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL9618091 0.85 SLC22A2 (0.47) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL14089219 0.85 LMNA (0.58) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL12240436 0.82 CNR2 (0.43) RAB9AMEN1KMT2AMAPTLMNA

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 RAB9A 1314/4885MEN1 2975/4885KMT2A 2647/4885
US-20090130367-A1 CATIONIC COMPOUND, DYE COMPOUND AND METHOD OF USING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM CHRM1, CHRM2, TRPC6 RAB9A 2541/4885MEN1 161/4885KMT2A 2727/4885

“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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