SCHEMBL2223334

SCHEMBL2223334

CC(=O)OCc1ccc2ccc([N+](c3ccc4ccc(COC(C)=O)nc4c3)(c3ccc4ccc(COC(C)=O)nc4c3)c3ccc4ccc(COC(C)=O)nc4c3)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYSLTR1 Q9Y271 5/20 0.36
GPBAR1 Q8TDU6 3/20 0.36
CYSLTR2 Q9NS75 3/20 0.36
ALOX5 P09917 3/20 0.34

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
SCHEMBL2224048 0.90 GRM1 (0.39) CYP1A2CYP2C19ALDH1A1CYSLTR1GPBAR1
SCHEMBL12517339 0.81 PDE10A (0.41) CYP1A2CYP2C19ALDH1A1CYSLTR1GPBAR1
SCHEMBL2672157 0.79 TERT (0.50) CYP1A2CYP2C19ALOX5
SCHEMBL3951224 0.78 GPBAR1 (0.55) CYP1A2CYP2C19CYSLTR1GPBAR1CYSLTR2
SCHEMBL14925257 0.76 PDE10A (0.38) CYP1A2CYP2C19ALDH1A1CYSLTR1GPBAR1
SCHEMBL2225005 0.74 CCR1 (0.47) CYP1A2CYSLTR1GPBAR1
SCHEMBL14925219 0.73 PDE10A (0.40) CYP1A2CYP2C19ALDH1A1CYSLTR1GPBAR1
SCHEMBL14925251 0.72 CYSLTR1 (0.40) ALDH1A1CYSLTR1ALOX5
SCHEMBL14925216 0.71 PDE10A (0.34) CYP1A2CYP2C19CYSLTR1GPBAR1CYSLTR2
SCHEMBL5466370 0.70 BACE1 (0.47) CYP2C19ALDH1A1CYSLTR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993767-B2 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-31 US disclosed
EP-2523937-B1 Multiphoton activable quinoline derivatives, their preparation and their uses CENTRE NAT RECH SCIENT (FR) 2015-03-11 EP disclosed
US-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses UNIVERSITÉ PARIS CITÉ (FR) 2013-05-09 US disclosed
EP-2523937-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES Centre National De La Recherche Scientifique (FR) 2012-11-21 EP disclosed
WO-2011086469-A1 MULTIPHOTON ACTIVABLE QUINOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-07-21 WO 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 (1 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-20130116281-A1 Multiphoton Activable Quinoline Derivatives, Their Preparation and Their Uses NQO2, ACHE, NQO1 CYP1A2 43/4885CYP2C19 335/4885ALDH1A1 568/4885

“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.