SCHEMBL3676878

SCHEMBL3676878

CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(OC(C)=O)C2=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 1/20 0.54
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
ESR1 P03372 5/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
STS P08842 5/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3684168 1.00 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL3682431 1.00 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL3677189 1.00 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL3682134 1.00 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL3684004 1.00 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL3675758 1.00 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL3674677 0.99 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL3675895 0.95 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL3676316 0.90 LMNA (0.65) ALDH1A1MEN1KMT2ALMNAESR1
SCHEMBL13622413 0.88 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNANPC1

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 ALDH1A1 1638/4885MEN1 2032/4885KMT2A 3089/4885

“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.