SCHEMBL3678858

SCHEMBL3678858

CC(=O)ON1C(=O)c2cc(C(=O)Oc3ccccc3)c(C(=O)Oc3ccccc3)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41
KDR P35968 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3673450 0.85 ALDH1A1 (0.56) HSD17B10MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL2241215 0.80 HSD17B10 (0.50) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL3684118 0.80 ALDH1A1 (0.50) HPGDMAPTTDP1ALDH1A1LMNA
SCHEMBL3672992 0.79 MAPT (0.40) HSD17B10HPGDMAPTKDM4EALDH1A1
SCHEMBL859822 0.76 ALDH1A1 (0.47) HPGDMAPTKDM4EALDH1A1KDR
SCHEMBL29838651 0.76 ALDH1A1 (0.47) HPGDMAPTKDM4EALDH1A1KDR
SCHEMBL3678655 0.75 CA12 (0.41) HSD17B10HPGDALOX15MAPTKDM4E
SCHEMBL3675236 0.75 GAA (0.47) HSD17B10HPGDMAPTKDM4EALDH1A1
SCHEMBL3678764 0.75 GABRA1 (0.31) KDRELANE
SCHEMBL347898 0.74 HSD17B10 (0.67) HSD17B10HPGDALOX15MAPTKDM4E

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 HSD17B10 1825/4885HPGD 301/4885ALOX15 183/4885

“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.