SCHEMBL18905180

SCHEMBL18905180

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)NC(CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.52
▸ BACE2 Q9Y5Z0 4/20 0.52
▸ KISS1R Q969F8 2/20 0.52
▸ NTSR2 O95665 2/20 0.51
▸ NTSR1 P30989 2/20 0.51
▸ CTSD P07339 1/20 0.48
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48

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 0.93 KISS1R (0.48) BACE1BACE2KISS1RNTSR2NTSR1
SCHEMBL18905179 0.93 KISS1R (0.49) BACE1BACE2KISS1RNTSR2NTSR1
SCHEMBL29857653 0.90 NPY4R (0.59) KISS1RNPY1RNPY2RNPY4R
SCHEMBL11886067 0.90 NPY4R (0.59) KISS1RNPY1RNPY2RNPY4R
SCHEMBL29458835 0.90 NPY4R (0.59) KISS1RNPY1RNPY2RNPY4R
SCHEMBL18910410 0.90 KISS1R (0.49) BACE1BACE2KISS1RNTSR2NTSR1
SCHEMBL29378886 0.87 KISS1R (0.56) BACE1BACE2KISS1RNTSR2NTSR1
SCHEMBL29857370 0.86 NPY4R (0.61) KISS1RNPY1RNPY2RNPY4R
SCHEMBL14706290 0.86 KISS1R (0.54) BACE1BACE2KISS1RNTSR2NTSR1
SCHEMBL29458713 0.86 NPY4R (0.61) KISS1RNPY1RNPY2RNPY4R

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 BACE1 4425/4885BACE2 4724/4885KISS1R 3487/4885

“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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