SCHEMBL6674551

SCHEMBL6674551

O=C(O)CN(CCN(CC(=O)O)Cc1cccc(O)c1)Cc1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 7/20 0.55
▸ OPRM1 P35372 6/20 0.55
▸ OPRD1 P41143 6/20 0.55
▸ HSD17B1 P14061 5/20 0.48
▸ HSD17B2 P37059 5/20 0.48
▸ DRD2 P14416 3/20 0.45
▸ DRD3 P35462 3/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD5 P21918 1/20 0.45
▸ CTBP2 P56545 1/20 0.44
▸ MEP1A Q16819 1/20 0.43
▸ MEP1B Q16820 1/20 0.43
▸ GYS1 P13807 1/20 0.43
▸ ENPP2 Q13822 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
SCHEMBL17714023 0.97 OPRK1 (0.60) OPRK1OPRM1OPRD1HSD17B1HSD17B2
SCHEMBL8423257 0.95 OPRK1 (0.54) OPRK1OPRM1OPRD1HSD17B1HSD17B2
SCHEMBL8421332 0.95 OPRK1 (0.56) OPRK1OPRM1OPRD1HSD17B1HSD17B2
SCHEMBL7759713 0.84 MEP1B (0.51) MEP1AMEP1BGYS1
SCHEMBL2799777 0.82 TDP1 (0.52) OPRK1OPRM1OPRD1DRD3DRD1
SCHEMBL7562335 0.82 AKR1B1 (0.46) DRD3DRD1MEP1AMEP1BGYS1
SCHEMBL7799512 0.81 MEP1B (0.62) MEP1AMEP1B
SCHEMBL2284795 0.80 TDP1 (0.56) DRD3DRD1MEP1B
SCHEMBL7564337 0.79 TDP1 (0.58) DRD3DRD1
SCHEMBL8425195 0.78 TSHR (0.51) DRD3DRD1CTBP2MEP1AMEP1B

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 6 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
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
US-6005006-A BLEACHING AND DEPIGMENTING COMPOUNDS FOR SKIN L'OREAL (FR) 1999-12-21 — — 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 (1 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-20040039059-A1 Use of n,n' -dibenzyl ethylene diamine-n, n'- diacetic acid derivatives as anti-pollution agent DDT, NAA15, NDC1 OPRK1 3715/4885OPRM1 3552/4885OPRD1 1642/4885

“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.

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