SCHEMBL18905179

SCHEMBL18905179

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)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 2/20 0.49
▸ F2 P00734 2/20 0.48
▸ BACE1 P56817 4/20 0.46
▸ NTSR2 O95665 2/20 0.46
▸ NTSR1 P30989 2/20 0.46
▸ NAALAD2 Q9Y3Q0 1/20 0.45
▸ MME P08473 1/20 0.45
▸ ACE P12821 1/20 0.45
▸ CPA1 P15085 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ BACE2 Q9Y5Z0 1/20 0.44
▸ GRB2 P62993 1/20 0.44
▸ ENPEP Q07075 1/20 0.44

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
SCHEMBL18905178 0.95 KISS1R (0.48) KISS1RF2BACE1NTSR2NTSR1
SCHEMBL18905180 0.93 BACE1 (0.52) KISS1RBACE1NTSR2NTSR1NPY1R
SCHEMBL29972923 0.92 NAALAD2 (0.53) F2BACE1NTSR2NTSR1NAALAD2
SCHEMBL11886065 0.89 NPY4R (0.56) KISS1RF2NPY1RNPY2RNPY4R
SCHEMBL29458786 0.86 ACE (0.51) KISS1RF2BACE1NAALAD2MME
SCHEMBL29857400 0.86 ACE (0.51) KISS1RF2BACE1NAALAD2MME
SCHEMBL11886068 0.86 ACE (0.51) KISS1RF2BACE1NAALAD2MME
SCHEMBL31643187 0.86 NAALAD2 (0.55) F2BACE1NTSR2NTSR1NAALAD2
SCHEMBL29857796 0.85 NPY4R (0.55) KISS1RF2NPY1RNPY2RNPY4R
SCHEMBL29617176 0.85 NPY4R (0.55) KISS1RF2NPY1RNPY2RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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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