SCHEMBL2113445

SCHEMBL2113445

CCOC(=O)c1coc(COC(C)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
NLRP3 Q96P20 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FBP1 P09467 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL345210 0.86 SLC6A2 (0.43) NLRP3ALDH1A1FBP1HSD17B10
SCHEMBL9714181 0.84 CYP1A2 (0.51) CYP1A2NLRP3ALDH1A1MAPTNPC1
SCHEMBL855444 0.83 CYP1A2 (0.50) CYP1A2NLRP3ALDH1A1MAPTNPC1
SCHEMBL742154 0.83 ALDH1A1 (0.41) CYP1A2ALDH1A1FBP1CYP2C19KDM4E
SCHEMBL2070116 0.81 CYP1A2 (0.49) CYP1A2NLRP3ALDH1A1MAPTNPC1
SCHEMBL3385122 0.81 CYP1A2 (0.49) CYP1A2NLRP3ALDH1A1MAPTNPC1
SCHEMBL1707146 0.81 CYP1A2 (0.43) CYP1A2NLRP3ALDH1A1MAPTNPC1
SCHEMBL861515 0.80 CYP1A2 (0.42) CYP1A2NLRP3ALDH1A1MAPTNPC1
SCHEMBL15932112 0.79 CYP1A2 (0.46) CYP1A2NLRP3ALDH1A1MAPTNPC1
SCHEMBL27603649 0.79 CYP1A2 (0.46) CYP1A2NLRP3ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 US disclosed
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-04-19 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 (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-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF EPOR, ACAD9, CBR1 CYP1A2 1188/4885NLRP3 4271/4885ALDH1A1 1344/4885

“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.