SCHEMBL18905178

SCHEMBL18905178

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(=O)NC(CCCNC(N)N)C(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 2/20 0.48
▸ F2 P00734 2/20 0.47
▸ BACE1 P56817 5/20 0.45
▸ BACE2 Q9Y5Z0 2/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ NTSR2 O95665 1/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ CTSD P07339 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
SCHEMBL18905179 0.95 KISS1R (0.49) KISS1RF2BACE1BACE2NTSR2
SCHEMBL18905180 0.93 BACE1 (0.52) KISS1RBACE1BACE2NTSR2NTSR1
SCHEMBL11886062 0.90 NPY4R (0.55) KISS1RF2
SCHEMBL29539204 0.90 NPY4R (0.55) KISS1RF2
SCHEMBL29857796 0.90 NPY4R (0.55) KISS1RF2
SCHEMBL29617176 0.90 NPY4R (0.55) KISS1RF2
SCHEMBL29972923 0.87 NAALAD2 (0.53) F2BACE1BACE2NTSR2NTSR1
SCHEMBL29857400 0.87 ACE (0.51) KISS1RF2BACE1BACE2OPRD1
SCHEMBL29458786 0.87 ACE (0.51) KISS1RF2BACE1BACE2OPRD1
SCHEMBL11886068 0.87 ACE (0.51) KISS1RF2BACE1BACE2OPRD1

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-20170151146-A1 HAIR TREATMENT AGENTS HENKEL AG & CO. KGAA (DE) 2017-06-01 — — US disclosed
US-20170151163-A1 HIGH-PERFORMANCE HAIR TREATMENT AGENTS WITH AN ANTI-WASHOUT EFFECT HENKEL AG & CO. KGAA (DE) 2017-06-01 — — 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-20170151146-A1 HAIR TREATMENT AGENTS OAT, OTC, SLC26A4 KISS1R 4529/4885F2 4015/4885BACE1 4134/4885
US-20170151163-A1 HIGH-PERFORMANCE HAIR TREATMENT AGENTS WITH AN ANTI-WASHOUT EFFECT OAT, CD44, FUT5 KISS1R 3487/4885F2 4059/4885BACE1 4425/4885

“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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