SCHEMBL2621005

SCHEMBL2621005

CC(C)(C)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
HSD17B10 Q99714 3/20 0.57
ALOX15 P16050 3/20 0.57
GAA P10253 3/20 0.49
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 2/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL13234913 0.92 CYP2C9 (0.56) CYP2C9CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL157049 0.91 ALDH1A1 (0.61) CYP2C9CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL13090369 0.90 CYP2C9 (0.57) CYP2C9CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL2621004 0.90 ALDH1A1 (0.60) CYP2C9CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL1599385 0.90 CYP2C9 (0.50) CYP2C9CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL7512813 0.86 ERN1 (0.49) CYP2C9CYP3A4CYP2C19CYP2D6HSD17B10
Hydrochloric Acid SCHEMBL10962313 0.85 CYP2C9 (0.46) CYP2C9CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL13090379 0.85 ALDH1A1 (0.54) CYP2C9CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL1600032 0.84 POLB (0.53) CYP2C9CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL22447780 0.84 MAPT (0.52) CYP2C9CYP3A4CYP2C19CYP2D6HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459284-B For the catalyst system of the forever active ring-opening polymerization of cyclic ester and cyclic carbonate TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2015-11-25 CN disclosed
US-9133304-B2 Process for immortal ring-opening polymerisation of cyclic esters and cyclic carbonates TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2015-09-15 US disclosed
US-9090636-B2 Catalytic systems for immortal ring-opening polymerisation of cyclic esters and cyclic carbonates TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2015-07-28 US disclosed
US-20150148516-A1 PROCESS FOR IMMORTAL RING-OPENING POLYMERISATION OF CYCLIC ESTERS AND CYCLIC CARBONATES TOTAL RES & TECHNOLOGY FELUY (BE) 2015-05-28 US disclosed
US-20120101233-A1 CATALYTIC SYSTEMS FOR IMMORTAL RING-OPENING POLYMERISATION OF CYCLIC ESTERS AND CYCLIC CARBONATES TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2012-04-26 US disclosed
US-20110224373-A1 PROCESS TO MAKE A DIBLOCK COPOLYMER HAVING A MONOVINYLAROMATIC POLYMER BLOCK TOTAL PETROCHEMICALS FRANCE (FR) 2011-09-15 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-20120101233-A1 CATALYTIC SYSTEMS FOR IMMORTAL RING-OPENING POLYMERISATION OF CYCLIC ESTERS AND CYCLIC CARBONATES TERT, TELO2, PCNA CYP2C9 1968/4885CYP3A4 993/4885CYP2C19 1286/4885

“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.