SCHEMBL4070043

SCHEMBL4070043

CCCCOc1ccc(C=O)c(OCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAOB P27338 2/20 0.47
LMNA P02545 2/20 0.46
ERN1 O75460 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.41
MDM2 Q00987 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 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
SCHEMBL4070948 0.94 ERN1 (0.49) ALDH1A1MAOBLMNAERN1KDM4E
SCHEMBL4064858 0.93 ALDH1A1 (0.51) ALDH1A1MAOBLMNAERN1MDM2
SCHEMBL5106446 0.90 MAOB (0.50) ALDH1A1MAOBMDM2HPGDSMN1; SMN2
SCHEMBL4067770 0.90 MDM2 (0.50) ALDH1A1MAOBERN1KDM4EPOLB
SCHEMBL1125718 0.90 ALDH1A1 (0.55) ALDH1A1MAOBLMNAERN1KDM4E
SCHEMBL317833 0.89 MAOB (0.52) ALDH1A1MAOB
SCHEMBL8749655 0.89 MAOB (0.52) ALDH1A1MAOB
SCHEMBL4061813 0.87 ALDH1A1 (0.49) ALDH1A1MAOBLMNAERN1KDM4E
SCHEMBL4059477 0.87 ALDH1A1 (0.67) ALDH1A1MAOBERN1KDM4E
SCHEMBL5449064 0.87 MDM2 (0.52) ALDH1A1MAOBERN1KDM4EPOLB

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 14 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
CN-100577651-C Lactam compound and medicinal use thereof AJINOMOTO KK 2010-01-06 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
CN-1911915-A Lactam compound and medicinal use thereof AJINOMOTO KK (JP) 2007-02-14 CN 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
CN-1269818-C Lactam compounds and pharmaceutical use thereof AJINOMOTO KK (JP) 2006-08-16 CN disclosed
CN-1487940-A Lactam compounds and pharmaceutical use thereof ֮����ʽ���� 2004-04-07 CN 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 ALDH1A1 911/4885MAOB 2230/4885LMNA 2032/4885
US-20040048847-A1 Lactam compounds and pharmaceutical use thereof SLC2A4, SLC2A8, SLC2A1 ALDH1A1 911/4885MAOB 2230/4885LMNA 2032/4885
US-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF SLC2A4, SLC2A8, SLC2A1 ALDH1A1 911/4885MAOB 2230/4885LMNA 2032/4885

“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.