SCHEMBL6716017

SCHEMBL6716017

COc1cc(CN(CCN(CC(=O)O)CC(=O)O)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
PTGS2 P35354 1/20 0.43
HSP90AA1 P07900 1/20 0.43
AOC3 Q16853 1/20 0.43
MMP3 P08254 1/20 0.43
POLB P06746 1/20 0.43
EYA2 O00167 1/20 0.42
APP P05067 1/20 0.42
ACE P12821 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6670969 0.95 KDM4E (0.45) L3MBTL1KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7645327 0.94 KDM4E (0.44) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8326095 0.94 KDM4E (0.44) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8421338 0.94 PTGS2 (0.48) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL8321067 0.85 POLB (0.47) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL9829521 0.82 ALDH1A1 (0.50) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7093072 0.81 KDM4E (0.37) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8421829 0.81 TSHR (0.50) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8325647 0.80 KMT2A (0.40) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL7111544 0.78 TSHR (0.50) L3MBTL1KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ZHANG HAN-CHENG (US) 2004-12-23 US claimed
US-20040228889-A1 Use of N-arylmethylene ethylenediaminetriacetates, N-arylmethylene iminodiacetated or N,N'-diarylmethylene ethylenediamineacetates as doners of NO L'OREAL S.A. (FR) 2004-11-18 US claimed
EP-0668854-B1 USE OF N-ARYLMETHYLENE, ETHYLENEDIAMINETRIACETATES N-ARYLMETHYLENE IMINODIACETATES OR N,N'-DIARYLMETHYLENE ETHYLENEDIAMINACETATES FOR USE IN COMBATTING OXIDATIVE STRESS OREAL (FR) 1999-10-13 EP claimed
US-5629436-A Use of N-arylmethylene ethylenediaminetriacetates N-arylmethylene iminodiacetates or N,N'-diarylmethylene ethylenediamineacetates against oxidative stress L'OREAL (FR) 1997-05-13 US claimed
US-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ZHANG HAN-CHENG (US) 2004-12-23 US disclosed
US-20040228889-A1 Use of N-arylmethylene ethylenediaminetriacetates, N-arylmethylene iminodiacetated or N,N'-diarylmethylene ethylenediamineacetates as doners of NO L'OREAL S.A. (FR) 2004-11-18 US disclosed
US-20040220260-A1 Use of mono-or di-esters of cinnamic acid or of one of its derivatives and vitamin C, as donor of NO L'OREAL S.A. (FR) 2004-11-04 US 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-20040259928-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 L3MBTL1 1714/4885KDM4E 1536/4885ALDH1A1 3103/4885
US-20040220260-A1 Use of mono-or di-esters of cinnamic acid or of one of its derivatives and vitamin C, as donor of NO ME2, ADH7, ME3 L3MBTL1 4707/4885KDM4E 3156/4885ALDH1A1 199/4885
US-20040228889-A1 Use of N-arylmethylene ethylenediaminetriacetates, N-arylmethylene iminodiacetated or N,N'-diarylmethylene ethylenediamineacetates as doners of NO NNMT, HNMT, PNMT L3MBTL1 4805/4885KDM4E 1882/4885ALDH1A1 673/4885

“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.