SCHEMBL3684358

SCHEMBL3684358

CC(=O)ON1C(=O)c2cc(C(=O)OC3CCCC3)c(C(=O)OC3CCCC3)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ATM Q13315 2/20 0.38
JMJD6 Q6NYC1 1/20 0.38
STS P08842 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
NTSR1 P30989 1/20 0.36
TSHR P16473 1/20 0.36
SCN1A P35498 1/20 0.36

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
SCHEMBL3684385 1.00 NPC1 (0.42) NPC1RAB9AMEN1KMT2AMMP1
SCHEMBL3681423 0.87 ALDH1A1 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3682046 0.85 ALDH1A1 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5083695 0.81 NPC1 (0.47) NPC1RAB9AMEN1KMT2AMMP1
SCHEMBL5081012 0.81 NPC1 (0.47) NPC1RAB9AMEN1KMT2AMMP1
SCHEMBL3672992 0.77 MAPT (0.40) SMN1; SMN2ALDH1A1NPSR1ATMLMNA
SCHEMBL828645 0.75 NPC1 (0.54) NPC1RAB9AMEN1KMT2AMMP1
SCHEMBL3678655 0.74 CA12 (0.41) NPC1ALDH1A1MAPTTSHR
SCHEMBL3678764 0.74 GABRA1 (0.31)
SCHEMBL3675236 0.74 GAA (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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-7741514-B2 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
US-20060281629-A1 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst ISHII YASUTAKA 2006-12-14 US disclosed
US-7115541-B2 Catalyst comprising n-substituted cyclic imides and processes for preparing organic compounds with the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-10-03 US disclosed
EP-1338336-A1 CATALYSTS COMPRISING N-SUBSTITUTED CYCLIC IMIDES AND PROCESSES FOR PREPARING ORGANIC COMPOUNDS WITH THE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2003-08-27 EP disclosed
US-20030013603-A1 Catalyst comprising n-substituted cylic imides and processes for preparing organic compounds with the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-16 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-20060281629-A1 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst NOS2, NOS1, NOS3 NPC1 3780/4885RAB9A 3056/4885MEN1 2032/4885

“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.