SCHEMBL3678764

SCHEMBL3678764

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.31
GABRG2 P18507 7/20 0.31
GABRB3 P28472 7/20 0.31
GABRA5 P31644 7/20 0.31
GABRA3 P34903 7/20 0.31
GABRA6 Q16445 7/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
KDR P35968 1/20 0.31
EGFR P00533 1/20 0.31
GABRA2 P47869 4/20 0.31
GABRB2 P47870 2/20 0.31
BUB1 O43683 1/20 0.30
SLC7A5 Q01650 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL3684122 0.82 POLB (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3672992 0.82 MAPT (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3675236 0.78 GAA (0.47)
SCHEMBL3678655 0.78 CA12 (0.41)
SCHEMBL3677491 0.76 ALDH1A1 (0.46) KDR
SCHEMBL3682116 0.75 ALDH1A1 (0.47)
SCHEMBL3678858 0.75 HSD17B10 (0.44) KDRELANE
SCHEMBL3684358 0.74 NPC1 (0.42)
SCHEMBL3684385 0.74 NPC1 (0.42)
SCHEMBL828580 0.73 EGFR (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 334/4885GABRG2 635/4885GABRB3 760/4885

“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.