SCHEMBL4070948

SCHEMBL4070948

CCCOc1ccc(C=O)c(OCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.49
ALDH1A1 P00352 4/20 0.49
MDM2 Q00987 2/20 0.47
LMNA P02545 1/20 0.46
MAOB P27338 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL4061813 0.94 ALDH1A1 (0.49) ERN1ALDH1A1MDM2LMNAMAOB
SCHEMBL4070043 0.94 ALDH1A1 (0.49) ERN1ALDH1A1MDM2LMNAMAOB
SCHEMBL5449064 0.93 MDM2 (0.52) ERN1ALDH1A1MDM2MAOBMEN1
SCHEMBL4067770 0.90 MDM2 (0.50) ERN1ALDH1A1MDM2MAOBMEN1
SCHEMBL1125718 0.90 ALDH1A1 (0.55) ERN1ALDH1A1LMNAMAOBMAPT
SCHEMBL20892596 0.87 ALDH1A1 (0.67) ERN1ALDH1A1MDM2MAOBMEN1
SCHEMBL4064858 0.87 ALDH1A1 (0.51) ERN1ALDH1A1MDM2LMNAMAOB
SCHEMBL5106446 0.84 MAOB (0.50) ALDH1A1MDM2MAOBHPGDHTT
SCHEMBL20892674 0.84 ALDH1A1 (0.67) ERN1ALDH1A1MDM2LMNAMAOB
SCHEMBL22322045 0.84 ALDH1A1 (0.49) ERN1ALDH1A1LMNAMAOBMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1852883-B Alpha-hydroxy-benzeneacetic acid derivatives, and compounds having two 5-membered lactone rings fused to central cyclohexa-1,4-diene nucleus based upon the same, and uses of the compounds KYUNG IN SYNTHETIC CORP 2010-05-05 CN disclosed
US-7632830-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2009-12-15 US disclosed
EP-1346993-B1 LACTAM COMPOUNDS AND MEDICAL USE THEREOF AJINOMOTO KK (JP) 2009-10-21 EP disclosed
US-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2008-04-24 US disclosed
US-7326701-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2008-02-05 US disclosed
US-7153850-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2006-12-26 US disclosed
CN-1852883-A Alpha-hydroxy-benzeneacetic acid derivatives, and compounds having two 5-membered lactone rings fused to central cyclohexa-1,4-diene nucleus based upon the same, and uses of the compounds KYUNG IN SYNTHETIC CORP (KR) 2006-10-25 CN disclosed
US-20060189597-A1 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2006-08-24 US disclosed
US-20040048847-A1 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO. INC (JP) 2004-03-11 US disclosed
EP-1346993-A1 LACTAM COMPOUNDS AND MEDICINAL USE THEREOF Ajinomoto Co., Inc. (JP) 2003-09-24 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 (3 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-20060189597-A1 Lactam compounds and pharmaceutical use thereof SLC2A4, SLC2A8, SLC2A1 ERN1 2414/4885ALDH1A1 911/4885MDM2 1501/4885
US-20040048847-A1 Lactam compounds and pharmaceutical use thereof SLC2A4, SLC2A8, SLC2A1 ERN1 2414/4885ALDH1A1 911/4885MDM2 1501/4885
US-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF SLC2A4, SLC2A8, SLC2A1 ERN1 2414/4885ALDH1A1 911/4885MDM2 1501/4885

“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.