SCHEMBL69407

SCHEMBL69407

COC(=O)c1ccc(C(=O)OC)n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 1/20 0.53
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 2/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NR4A2 P43354 1/20 0.40

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
SCHEMBL7860405 0.91 NPC1 (0.47) KDM4ENPC1MAPK1ATML3MBTL1
SCHEMBL13804468 0.91 NPC1 (0.47) KDM4ENPC1MAPK1ATML3MBTL1
SCHEMBL21448919 0.89 NPC1 (0.46) KDM4ENPC1MAPK1ATML3MBTL1
SCHEMBL12748885 0.87 NPC1 (0.47) KDM4ENPC1MAPK1ATML3MBTL1
SCHEMBL8108945 0.85 NPC1 (0.46) KDM4ENPC1MAPK1ATML3MBTL1
SCHEMBL2722125 0.85 NPC1 (0.46) KDM4ENPC1MAPK1ATML3MBTL1
SCHEMBL1277532 0.85 NPC1 (0.46) KDM4ENPC1MAPK1ATML3MBTL1
SCHEMBL20651666 0.83 NPC1 (0.45) KDM4ENPC1MAPK1ATML3MBTL1
SCHEMBL10938454 0.83 HDAC10 (0.55) KDM4ENPC1L3MBTL1NPSR1TSHR
SCHEMBL2174007 0.82 NPC1 (0.44) KDM4ENPC1MAPK1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266808-B2 Method for the hydroformylation of olefins BASF SE (DE) 2016-02-23 US disclosed
US-9266808-B2 Method for the hydroformylation of olefins BASF SE (DE) 2016-02-23 US disclosed
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-8110709-B2 Stabilization of hydroformylation catalysts based on phosphoramide ligands BASF SE (DE) 2012-02-07 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-7767852-B2 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-20100048959-A1 METHOD FOR THE HYDROFORMYLATION OF OLEFINS BASF SE (DE) 2010-02-25 US disclosed
US-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION BASF AKTIENGESELLSCHAFT (DE) 2009-09-10 US disclosed
US-20080083606-A1 preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 KDM4E 717/4885NPC1 4583/4885MAPK1 3382/4885
US-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION PFKFB3, PHPT1, PFKFB4 KDM4E 3864/4885NPC1 4436/4885MAPK1 4609/4885
US-20100048959-A1 METHOD FOR THE HYDROFORMYLATION OF OLEFINS DOHH, CYP4F3, DHPS KDM4E 4024/4885NPC1 778/4885MAPK1 2950/4885

“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.