SCHEMBL3780803

SCHEMBL3780803

CC1(C)C(CN2C(=O)C3CCCCC3C2=O)C1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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 0.84 RAB9A (0.41) ALDH1A1HTTRAB9AKDM4ELMNA
SCHEMBL3782593 0.84 ALDH1A1 (0.42) ALDH1A1HTTRAB9AKDM4ELMNA
SCHEMBL3770131 0.79 KDM4E (0.35) KDM4ELMNA
SCHEMBL3781633 0.78 CXCR3 (0.35) ALDH1A1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL3785354 0.76 KMT2A (0.33) KMT2A
SCHEMBL3780808 0.75
SCHEMBL3775769 0.73 CA12 (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3781253 0.73 CA12 (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3773345 0.71 CA9 (0.36) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL3780535 0.70 ALDH1A1 (0.30) ALDH1A1

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 1979/4885HTT 4629/4885RAB9A 1572/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS ALDH1A1 1821/4885HTT 4606/4885RAB9A 1489/4885

“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.