SCHEMBL3785657

SCHEMBL3785657

O=C(O)C1OC(c2ccccc2)OC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38
MMP1 P03956 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
KEAP1 Q14145 2/20 0.36

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
SCHEMBL3776159 0.86 ALDH1A1 (0.40) CA12CA9ALDH1A1KDM4ETDP1
SCHEMBL27852442 0.77 EPHX1 (0.33) KMT2ATP53SMN1; SMN2
SCHEMBL4622390 0.76 CYP1A2 (0.46) CA12CA9CYP1A2CYP2C9CYP2C19
SCHEMBL11264530 0.75 ALDH1A1 (0.51) CA12CA9CYP1A2CYP2C9CYP2C19
SCHEMBL8743680 0.74 EPHX1 (0.48) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL21597987 0.74 EPHX1 (0.48) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL3782873 0.73 ALDH1A1 (0.43) CA12CA9CYP1A2CYP2C9CYP2C19
SCHEMBL11253482 0.70 CYP1A2 (0.49) CA12CA9CYP1A2CYP2C9CYP2C19
SCHEMBL9551116 0.70 CYP1A2 (0.53) CA12CA9CYP1A2CYP2C9CYP2C19
SCHEMBL7536373 0.69 CYP2C9 (0.54) CA12CA9CYP1A2CYP2C9CYP2C19

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 CA12 786/4885CA9 216/4885CYP1A2 53/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS CA12 784/4885CA9 221/4885CYP1A2 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.