SCHEMBL3779237

SCHEMBL3779237

COC(=O)C1CC=CCC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
PLIN1 O60240 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3787457 0.83 MMP2 (0.44) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL3777041 0.83 CA12 (0.47) CA12CA9
SCHEMBL3772459 0.81 CYP1A2 (0.45) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL3781516 0.81 KMT2A (0.46) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL3780544 0.77 LMNA (0.41) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL3775347 0.73 ALDH1A1 (0.46) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL3770141 0.72 ALDH1A1 (0.43) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL3772372 0.71 HSD17B10 (0.44) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL3770265 0.71 ALDH1A1 (0.51) ALDH1A1MAPTPLIN1HPGDALOX15
SCHEMBL19714893 0.71 HSD17B10 (0.33) ALDH1A1HSD17B10POLBMAPK1CYP1A2

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 4812/4885PLIN1 3583/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS ALDH1A1 1821/4885MAPT 4805/4885PLIN1 3636/4885

“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.