SCHEMBL3684074

SCHEMBL3684074

CCC1CC(=O)N(OC(C)=O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
MT-CO2 P00403 1/20 0.35
ALOX5 P09917 1/20 0.35
MME P08473 1/20 0.32
ELANE P08246 1/20 0.31
BRD4 O60885 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL14363440 0.88 CYP2C19 (0.42) CYP2C19MT-CO2ALOX5MMEBRD4
SCHEMBL18036536 0.86 CYP2C19 (0.44) CYP2C19MT-CO2ALOX5MMEBRD4
SCHEMBL24311271 0.85 MT-CO2 (0.50) MT-CO2ALOX5MMEBRD4POLB
SCHEMBL13700489 0.85 CYP2C19 (0.40) CYP2C19MT-CO2ALOX5MMEBRD4
SCHEMBL17236079 0.82 CYP2C19 (0.42) CYP2C19MT-CO2ALOX5MMEPOLB
SCHEMBL25046381 0.82 MT-CO2 (0.38) MT-CO2ALOX5MME
SCHEMBL13657270 0.82 CYP2C19 (0.39) CYP2C19MT-CO2ALOX5MME
SCHEMBL14389158 0.79 CYP2C19 (0.35) CYP2C19
SCHEMBL20086458 0.79 ALDH1A1 (0.34) CYP2C19MT-CO2ALOX5L3MBTL1
SCHEMBL19078068 0.78 L3MBTL1 (0.37) L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617270-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-04-11 US disclosed
US-20150315193-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2015-11-05 US disclosed
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 (2 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-20150315193-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 CYP2C19 325/4885MT-CO2 1981/4885ALOX5 2104/4885
US-20060281629-A1 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst NOS2, NOS1, NOS3 CYP2C19 219/4885MT-CO2 701/4885ALOX5 117/4885

“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.