SCHEMBL3787457

SCHEMBL3787457

COC(=O)C1CCC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.44
MMP3 P08254 3/20 0.44
MMP9 P14780 3/20 0.44
MMP13 P45452 3/20 0.44
MMP1 P03956 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLIN1 O60240 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
PLIN5 Q00G26 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43
KEAP1 Q14145 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 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
SCHEMBL3772459 0.92 CYP1A2 (0.45) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3781516 0.92 KMT2A (0.46) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3779237 0.83 ALDH1A1 (0.42) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3782967 0.82 MMP2 (0.54) MMP2MMP3MMP9MMP13MMP1
SCHEMBL3770265 0.79 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3770141 0.77 ALDH1A1 (0.43) MMP2MMP3MMP9MMP13MMP1
SCHEMBL3780544 0.77 LMNA (0.41) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4743617 0.76 CYP1A2 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL3783014 0.75 ALDH1A1 (0.39) MMP2MMP3MMP9MMP13MMP1
SCHEMBL3781291 0.75 ALDH1A1 (0.39) ALDH1A1MAPTPLIN1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-23 US disclosed
US-20090118519-A1 Production Method of Polycyclic Lactams SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 US disclosed
EP-2014647-A1 PROCESS FOR PRODUCING POLYCYCLIC LACTAM Sumitomo Chemical Company, Limited (JP) 2009-01-14 EP 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-20090118519-A1 Production Method of Polycyclic Lactams MRPL21, COASY, ASNS MMP2 1755/4885MMP3 3452/4885MMP9 2057/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS MMP2 1922/4885MMP3 3479/4885MMP9 2133/4885

“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.