SCHEMBL3776159

SCHEMBL3776159

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
ALOX15 P16050 2/20 0.40
PLIN1 O60240 1/20 0.40
HPGD P15428 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
ITGA4 P13612 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
BACE1 P56817 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 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
SCHEMBL3785657 0.86 CA12 (0.43) ALDH1A1CA12CA9KDM4ETDP1
SCHEMBL27852493 0.80 BACE1 (0.38) ALDH1A1MAPTALOX15ITGA4KMT2A
SCHEMBL20712075 0.77 POLB (0.50) ALDH1A1MAPTITGA4CYP2D6TSHR
SCHEMBL3096440 0.77 POLB (0.50) ALDH1A1MAPTITGA4CYP2D6TSHR
SCHEMBL3096445 0.77 POLB (0.50) ALDH1A1MAPTITGA4CYP2D6TSHR
SCHEMBL2747635 0.77 POLB (0.50) ALDH1A1MAPTITGA4CYP2D6TSHR
SCHEMBL3775347 0.76 ALDH1A1 (0.46) ALDH1A1MAPTALOX15PLIN1HPGD
SCHEMBL4622390 0.72 CYP1A2 (0.46) ALDH1A1MAPTCA12CA9KDM4E
SCHEMBL3780544 0.70 LMNA (0.41) ALDH1A1MAPTALOX15PLIN1HPGD
SCHEMBL3772347 0.70 SLC6A4 (0.47)

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 ALDH1A1 1979/4885MAPT 4812/4885ALOX15 2316/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS ALDH1A1 1821/4885MAPT 4805/4885ALOX15 2200/4885

“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.