SCHEMBL3676803

SCHEMBL3676803

CCCCOC(=O)c1cc2c(cc1C(=O)OCCCC)C(=O)N(OC(C)=O)C2=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ESR1 P03372 3/20 0.42

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
SCHEMBL3676146 0.96 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1MEN1
SCHEMBL3681930 0.95 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL3675384 0.95 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL3673463 0.95 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL3679340 0.95 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL3676153 0.95 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL3684491 0.95 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL3684001 0.95 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL3677491 0.92 ALDH1A1 (0.46) TSHRTDP1L3MBTL1ALDH1A1MEN1
SCHEMBL3675236 0.85 GAA (0.47) TSHRL3MBTL1ALDH1A1MEN1KMT2A

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 TSHR 2473/4885TDP1 3922/4885L3MBTL1 4478/4885

“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.