SCHEMBL3772372

SCHEMBL3772372

COC(=O)C1C(CN2C(=O)c3ccccc3C2=O)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 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
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RPS6KA2 Q15349 1/20 0.39

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
SCHEMBL3770019 0.85 HSD17B10 (0.43) HSD17B10ALDH1A1MAPTPLIN1HPGD
SCHEMBL3781377 0.85 HSD17B10 (0.43) HSD17B10ALDH1A1MAPTPLIN1HPGD
SCHEMBL3775769 0.84 CA12 (0.47) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL3781253 0.84 CA12 (0.47) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL3772575 0.84 TNF (0.35) HSD17B10ALDH1A1MAPTHPGDCA12
Potassium Ion SCHEMBL3773406 0.82 CA12 (0.41) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL3781282 0.78 POLA1 (0.32)
SCHEMBL3770319 0.78 KDM4E (0.33) KDM4E
SCHEMBL3777323 0.77 HSD17B10 (0.39) HSD17B10ALDH1A1KDM4EKMT2ATDP1
SCHEMBL3771889 0.77 BRD4 (0.35) ALDH1A1HPGDKMT2A

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 6 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 claimed
US-20090118519-A1 Production Method of Polycyclic Lactams SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 US claimed
EP-2014647-A1 PROCESS FOR PRODUCING POLYCYCLIC LACTAM Sumitomo Chemical Company, Limited (JP) 2009-01-14 EP claimed
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 HSD17B10 256/4885ALDH1A1 1979/4885MAPT 4812/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS HSD17B10 234/4885ALDH1A1 1821/4885MAPT 4805/4885

“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.