SCHEMBL6670969

SCHEMBL6670969

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS2 P35354 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
AOC3 Q16853 2/20 0.44
POLB P06746 1/20 0.43
MMP3 P08254 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Hydrochloric Acid SCHEMBL7645327 0.98 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2APTGS2
SCHEMBL8326095 0.98 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2APTGS2
SCHEMBL6716017 0.95 L3MBTL1 (0.45) KDM4EALDH1A1MEN1KMT2APTGS2
SCHEMBL8421338 0.95 PTGS2 (0.48) KDM4EALDH1A1MEN1KMT2APTGS2
SCHEMBL8321067 0.86 POLB (0.47) KDM4EALDH1A1MEN1KMT2APTGS2
SCHEMBL9829521 0.86 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2APTGS2
SCHEMBL7093072 0.85 KDM4E (0.37) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL8325647 0.84 KMT2A (0.40) KDM4EALDH1A1MEN1KMT2APTGS2
SCHEMBL7111544 0.79 TSHR (0.50) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL8318661 0.79 SLC29A1 (0.44) ALDH1A1MEN1KMT2APTGS2POLB

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
EP-1282394-B1 USE OF N,N'-DIBENZYL ETHYLENE DIAMINE N,N'-DIACETIC ACID DERIVATIVES AS ANTI-POLLUTION AGENT OREAL (FR) 2004-09-29 EP claimed
US-20040039059-A1 Use of n,n' -dibenzyl ethylene diamine-n, n'- diacetic acid derivatives as anti-pollution agent L'OREAL (FR) 2004-02-26 US claimed
WO-2003075910-A1 PREVENTING AND/OR TREATING VASCULAR DISEASE, CARDIOMYOPATHY AND/OR ASSOCIATED HEART FAILURE PROTEMIX CORPORATION LIMITED (NZ) 2003-09-18 WO claimed
US-20010016592-A1 Novel diamine alkylene diacetic or triacetic acid derivatives, preparation method, use in cosmetic and pharmaceutical compositions and compositions containing them L'OREAL S.A. 2001-08-23 US claimed
US-6218432-B1 FOR PROTECTING BODY AGAINST OXIDATIVE STRESS L'OREAL (FR) 2001-04-17 US claimed
US-5834518-A FOR APPLICATION TO SKIN L'OREAL (FR) 1998-11-10 US claimed
US-20040039059-A1 Use of n,n' -dibenzyl ethylene diamine-n, n'- diacetic acid derivatives as anti-pollution agent L'OREAL (FR) 2004-02-26 US disclosed
WO-2003075910-A1 PREVENTING AND/OR TREATING VASCULAR DISEASE, CARDIOMYOPATHY AND/OR ASSOCIATED HEART FAILURE PROTEMIX CORPORATION LIMITED (NZ) 2003-09-18 WO disclosed
US-6482855-B2 OXIDATION RESISTANCE; STRESS RELIEVING L'OREAL S.A. (FR) 2002-11-19 US disclosed
US-20010016592-A1 Novel diamine alkylene diacetic or triacetic acid derivatives, preparation method, use in cosmetic and pharmaceutical compositions and compositions containing them L'OREAL S.A. 2001-08-23 US disclosed
US-6218432-B1 FOR PROTECTING BODY AGAINST OXIDATIVE STRESS L'OREAL (FR) 2001-04-17 US disclosed
US-6005006-A BLEACHING AND DEPIGMENTING COMPOUNDS FOR SKIN L'OREAL (FR) 1999-12-21 US disclosed
US-5985564-A INHIBITOR OF CHROMOSOME SEGREGATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-11-16 US disclosed
US-5834518-A FOR APPLICATION TO SKIN L'OREAL (FR) 1998-11-10 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 (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-20010016592-A1 Novel diamine alkylene diacetic or triacetic acid derivatives, preparation method, use in cosmetic and pharmaceutical compositions and compositions containing them DDC, AADAC, AADAT KDM4E 2559/4885ALDH1A1 100/4885MEN1 1477/4885
US-20040039059-A1 Use of n,n' -dibenzyl ethylene diamine-n, n'- diacetic acid derivatives as anti-pollution agent DDT, NAA15, NDC1 KDM4E 2983/4885ALDH1A1 820/4885MEN1 3013/4885

“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.