SCHEMBL12239999

SCHEMBL12239999

c1ccc2c(-[n+]3ccc(-c4cc[n+](-c5ccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9cccc%10ccccc9%10)cc8)cc7)cc6)cc5)cc4)cc3)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 17/20 0.40
▸ BCHE P06276 12/20 0.40
▸ PGR P06401 1/20 0.34
▸ BCL2 P10415 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ BAD Q92934 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30

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
SCHEMBL12715301 0.83 ALDH1A1 (0.40) ACHEBCHE
Hydrochloric Acid SCHEMBL2464559 0.82 ALDH1A1 (0.39) ACHEBCHE
SCHEMBL13943794 0.78 LTA4H (0.50) PGR
SCHEMBL12239725 0.78 LTA4H (0.50) PGR
SCHEMBL12216703 0.78 LTA4H (0.44) ACHEBCHEPGR
SCHEMBL12240007 0.78 LTA4H (0.50) PGR
SCHEMBL12240445 0.78 LTA4H (0.44) ACHEBCHEPGR
SCHEMBL12240444 0.77 LTA4H (0.42) —
Hydrochloric Acid SCHEMBL2465409 0.77 LTA4H (0.48) PGR
SCHEMBL13911039 0.77 LTA4H (0.48) PGR

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 ACHE 3112/4885BCHE 3853/4885PGR 977/4885
US-20090130367-A1 CATIONIC COMPOUND, DYE COMPOUND AND METHOD OF USING THE SAME, AND OPTICAL INFORMATION RECORDING MEDIUM CHRM1, CHRM2, TRPC6 ACHE 962/4885BCHE 3311/4885PGR 1157/4885

“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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