SCHEMBL3780544

SCHEMBL3780544

COC(=O)C1CC(C)(C)OC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.39
ITGA4 P13612 1/20 0.39
ACHE P22303 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PLIN1 O60240 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL3777727 0.86 ACHE (0.44) LMNAALDH1A1ACHECYP1A2CYP2C9
SCHEMBL3775347 0.79 ALDH1A1 (0.46) LMNAALDH1A1KMT2AHSD17B10MAPT
SCHEMBL3779237 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AHSD17B10MAPTCYP1A2
SCHEMBL3787457 0.77 MMP2 (0.44) ALDH1A1KMT2AHSD17B10MAPTCYP1A2
SCHEMBL3772459 0.74 CYP1A2 (0.45) ALDH1A1KMT2AHSD17B10MAPTCYP1A2
SCHEMBL3781516 0.74 KMT2A (0.46) ALDH1A1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL3772372 0.73 HSD17B10 (0.44) ALDH1A1KMT2AHSD17B10MAPTPLIN1
SCHEMBL4142104 0.72 CA12 (0.40) LMNAALDH1A1KMT2AACHEMEN1
SCHEMBL3776159 0.70 ALDH1A1 (0.40) ALDH1A1KMT2AHSD17B10MAPTITGA4
SCHEMBL3770019 0.69 HSD17B10 (0.43) ALDH1A1KMT2AHSD17B10MAPTPLIN1

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 LMNA 1733/4885ALDH1A1 1979/4885KMT2A 1271/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS LMNA 1677/4885ALDH1A1 1821/4885KMT2A 1135/4885

“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.