SCHEMBL3781516

SCHEMBL3781516

COC(=O)C1CCCCC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KEAP1 Q14145 7/20 0.44
NFE2L2 Q16236 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
PLIN1 O60240 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 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
SCHEMBL3772459 0.97 CYP1A2 (0.45) KMT2ACYP2C19CYP1A2CYP2C9TDP1
SCHEMBL3787457 0.92 MMP2 (0.44) KMT2ACYP2C19CYP1A2CYP2C9KEAP1
SCHEMBL3781297 0.83 KEAP1 (0.56) CYP2C19CYP1A2CYP2C9KEAP1NFE2L2
SCHEMBL3779237 0.81 ALDH1A1 (0.42) KMT2ACYP2C19CYP1A2CYP2C9TDP1
SCHEMBL3787721 0.80 KEAP1 (0.56) CYP2C19CYP1A2CYP2C9KEAP1NFE2L2
SCHEMBL28797481 0.77 SLC6A2 (0.43) KMT2ACYP1A2SLC6A2SLC6A4HPGD
SCHEMBL5407790 0.77 CYP2C19 (0.51) KMT2ACYP2C19CYP1A2CYP2C9TDP1
SCHEMBL5413316 0.77 CYP2C19 (0.51) KMT2ACYP2C19CYP1A2CYP2C9TDP1
SCHEMBL5407785 0.77 CYP2C19 (0.51) KMT2ACYP2C19CYP1A2CYP2C9TDP1
SCHEMBL20208692 0.75 KEAP1 (0.79) KEAP1NFE2L2L3MBTL1ATMALDH1A1

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 KMT2A 1271/4885CYP2C19 50/4885CYP1A2 53/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS KMT2A 1135/4885CYP2C19 43/4885CYP1A2 38/4885

“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.