SCHEMBL17915899

SCHEMBL17915899

CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(N)Cc1ccc(O)cc1)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.48
▸ MME P08473 1/20 0.48
▸ CPA1 P15085 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48
▸ OPRD1 P41143 1/20 0.47
▸ NAALAD2 Q9Y3Q0 1/20 0.46
▸ F2 P00734 2/20 0.46
▸ BACE1 P56817 3/20 0.45
▸ KISS1R Q969F8 2/20 0.45
▸ IL1RN P18510 1/20 0.45
▸ ERAP2 Q6P179 1/20 0.45
▸ BACE2 Q9Y5Z0 2/20 0.45

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
SCHEMBL11886068 0.94 ACE (0.51) ACEMMECPA1ACE2OPRD1
SCHEMBL29857400 0.94 ACE (0.51) ACEMMECPA1ACE2OPRD1
SCHEMBL29458786 0.94 ACE (0.51) ACEMMECPA1ACE2OPRD1
SCHEMBL29972923 0.92 NAALAD2 (0.53) ACEMMECPA1ACE2NAALAD2
SCHEMBL15202798 0.90 ACE (0.51) ACEMMECPA1ACE2NAALAD2
SCHEMBL14706288 0.87 NAALAD2 (0.54) OPRD1NAALAD2IL1RNERAP2
SCHEMBL30947373 0.86 OPRD1 (0.53) OPRD1NAALAD2BACE1IL1RNERAP2
SCHEMBL29378886 0.85 KISS1R (0.56) OPRD1BACE1KISS1RBACE2
SCHEMBL18907573 0.85 BACE1 (0.54) ACEMMECPA1ACE2BACE1
SCHEMBL31643187 0.85 NAALAD2 (0.55) ACEMMECPA1ACE2NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170056305-A1 HIGH-PERFORMANCE HAIR TREATMENT AGENTS WITH A PROTEOLIPID AND A MAGNESIUM SALT HENKEL AG & CO. KGAA (DE) 2017-03-02 — — US disclosed
US-20160199281-A1 HAIR TREATMENT AGENTS CONTAINING OLIGOPEPTIDES AND HYALURONIC ACID ESTERS HENKEL AG & CO. KGAA (DE) 2016-07-14 — — 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-20160199281-A1 HAIR TREATMENT AGENTS CONTAINING OLIGOPEPTIDES AND HYALURONIC ACID ESTERS CD44, NGLY1, HDGF ACE 4481/4885MME 541/4885CPA1 455/4885
US-20170056305-A1 HIGH-PERFORMANCE HAIR TREATMENT AGENTS WITH A PROTEOLIPID AND A MAGNESIUM SALT SRRM2, PLP2, KRT18 ACE 4542/4885MME 1779/4885CPA1 2339/4885

“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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