SCHEMBL925005

SCHEMBL925005

Cn1cc[n+](CCc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CYP2D6 P10635 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ TP53 P04637 1/20 0.35

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
Hydrochloric Acid SCHEMBL6115226 0.98 CA1 (0.40) CA1CA2CYP2D6CYP3A4CYP2C19
SCHEMBL6115185 0.94 CA1 (0.37) CA1CA2CYP2D6CYP3A4CYP2C19
SCHEMBL869647 0.90 SIGMAR1 (0.41) CA1CA2POLB
Hydrochloric Acid SCHEMBL5835817 0.88 SIGMAR1 (0.40) CA1CA2POLB
SCHEMBL21314162 0.84 SIGMAR1 (0.37) CA1CA2POLB
SCHEMBL667064 0.81 CHKA (0.46) CA1CA2POLBKMT2AATM
SCHEMBL21314160 0.81 POLB (0.40) POLBKMT2A
SCHEMBL1076866 0.81 KMT2A (0.42) CA1CA2CYP2D6POLBKMT2A
Hydrochloric Acid SCHEMBL382999 0.80 ALDH1A1 (0.46) CA1CA2POLBKMT2AATM
Water SCHEMBL31529761 0.80 CHKA (0.44) CA1CA2POLBKMT2AATM

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252672-B1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT ESSILOR INT (FR) 2019-02-20 — — EP claimed
EP-2252672-A2 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT Essilor International (Compagnie Générale D'Optique) (FR) 2010-11-24 — — EP claimed
WO-2009115721-A2 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2009-09-24 — — WO claimed
EP-2252672-B1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT ESSILOR INT (FR) 2019-02-20 — — EP disclosed
EP-2474527-B1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEM IND LTD (JP) 2017-01-25 — — EP disclosed
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 — — US disclosed
US-8411347-B2 Composition comprising photochromic dyes in an ionic solvent ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2013-04-02 — — US disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 — — US disclosed
US-20110013252-A1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT Essilor International (compagnie Generale D'optiqu e (FR) 2011-01-20 — — US disclosed
EP-2252672-A2 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT Essilor International (Compagnie Générale D'Optique) (FR) 2010-11-24 — — EP disclosed
WO-2009115721-A2 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2009-09-24 — — WO disclosed
US-7504542-B2 Preparation of α-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes EVONIK DEGUSSA GMBH (DE) 2009-03-17 — — US disclosed
US-7504542-B2 Preparation of α-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes EVONIK DEGUSSA GMBH (DE) 2009-03-17 — — US disclosed
US-20080051608-A1 Preparation of alpha-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes DEGUSSA GMBH (DE) 2008-02-28 — — US disclosed
US-20080051608-A1 Preparation of alpha-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes DEGUSSA GMBH (DE) 2008-02-28 — — 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-20080051608-A1 Preparation of alpha-hydroxy ketones via carbene-catalyzed umpolung reaction of aldehydes HACL2, PCCA, ECI1 CA1 4286/4885CA2 4165/4885CYP2D6 414/4885
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 CA1 2316/4885CA2 666/4885CYP2D6 3554/4885

“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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