SCHEMBL68410

SCHEMBL68410

CCOC(=O)c1c(C)[nH]c(C)c1C(=O)OCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.71
HPGD P15428 3/20 0.68
ALDH1A1 P00352 7/20 0.63
MAPK1 P28482 1/20 0.63
PDE4D Q08499 1/20 0.59
KDM4E B2RXH2 2/20 0.56
MAPT P10636 1/20 0.56
GLA P06280 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.54
SIRT5 Q9NXA8 1/20 0.54
GAA P10253 3/20 0.53
MAPK10 P53779 1/20 0.53

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
SCHEMBL11789541 0.89 SMN1; SMN2 (0.65) SMN1; SMN2HPGDALDH1A1MAPK1PDE4D
SCHEMBL11652842 0.89 HPGD (0.72) SMN1; SMN2HPGDALDH1A1MAPK1PDE4D
SCHEMBL11645963 0.86 SMN1; SMN2 (0.61) SMN1; SMN2HPGDALDH1A1MAPK1PDE4D
SCHEMBL15331979 0.84 SMN1; SMN2 (1.00) SMN1; SMN2HPGDALDH1A1MAPK1PDE4D
SCHEMBL11008658 0.82 ALDH1A1 (0.62) SMN1; SMN2HPGDALDH1A1MAPK1PDE4D
SCHEMBL69310 0.81 HPGD (1.00) SMN1; SMN2HPGDALDH1A1MAPK1KDM4E
SCHEMBL3515050 0.80 HPGD (0.66) SMN1; SMN2HPGDALDH1A1MAPK1PDE4D
SCHEMBL11646460 0.80 HPGD (0.66) SMN1; SMN2HPGDALDH1A1MAPK1KDM4E
SCHEMBL7689157 0.80 HPGD (0.66) SMN1; SMN2HPGDALDH1A1MAPK1KDM4E
SCHEMBL8545504 0.80 HPGD (0.56) SMN1; SMN2HPGDALDH1A1MAPK1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 US disclosed
US-20070004939-A1 Method for the continuous production of aldehydes VOLLAND MARTIN 2007-01-04 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 (3 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-20070004939-A1 Method for the continuous production of aldehydes HRH4, HRH2, HRH3 SMN1; SMN2 3216/4885HPGD 33/4885ALDH1A1 484/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 SMN1; SMN2 4357/4885HPGD 3275/4885ALDH1A1 1882/4885
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof CYP51A1, MSMO1, HSD17B7 SMN1; SMN2 2394/4885HPGD 37/4885ALDH1A1 82/4885

“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.