SCHEMBL3777323

SCHEMBL3777323

COC(=O)C1C(CN2C(=O)C3CC=CCC3C2=O)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 2/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 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
SCHEMBL3772460 0.85 RAB9A (0.41) TP53ALDH1A1GAATDP1L3MBTL1
SCHEMBL3782593 0.85 ALDH1A1 (0.42) HSD17B10USP2TP53ALDH1A1ATM
SCHEMBL3771889 0.79 BRD4 (0.35) ALDH1A1TSHRGAAKMT2ALMNA
SCHEMBL3781282 0.77 POLA1 (0.32) HTT
SCHEMBL3770319 0.77 KDM4E (0.33) KDM4ELMNA
SCHEMBL3772372 0.77 HSD17B10 (0.44) HSD17B10ALDH1A1KMT2ATDP1KDM4E
SCHEMBL3772575 0.75 TNF (0.35) HSD17B10ALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL3772462 0.73
SCHEMBL3781323 0.72 BRD4 (0.31)
SCHEMBL3780803 0.69 ALDH1A1 (0.40) TP53ALDH1A1GAAKMT2ATDP1

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 HSD17B10 256/4885USP2 1920/4885TP53 4211/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS HSD17B10 234/4885USP2 1726/4885TP53 4343/4885

“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.