SCHEMBL29611475

SCHEMBL29611475

CC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.44
NTSR1 P30989 5/20 0.43
AGTR1 P30556 1/20 0.43
CAPN1 P07384 2/20 0.43
NTSR2 O95665 4/20 0.42
SORT1 Q99523 2/20 0.42
F2 P00734 1/20 0.42
KDM1A O60341 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL29612000 0.94 CAPN1 (0.48) CALCRLCAPN1KDM1A
SCHEMBL29611631 0.93 NTSR1 (0.50) NTSR1AGTR1NTSR2SORT1
SCHEMBL29611574 0.92 CAPN1 (0.50) NTSR1CAPN1NTSR2SORT1
SCHEMBL29612007 0.91 MAPK8 (0.47) KDM1A
SCHEMBL29611599 0.88 CAPN1 (0.48) NTSR1CAPN1NTSR2SORT1
SCHEMBL29611458 0.88 NTSR1 (0.48) NTSR1CAPN1NTSR2SORT1
SCHEMBL29611353 0.88 CAPN1 (0.48) NTSR1CAPN1NTSR2SORT1
SCHEMBL29611519 0.87 NTSR1 (0.51) NTSR1NTSR2SORT1
SCHEMBL29611806 0.87 CAPN1 (0.51) NTSR1CAPN1NTSR2SORT1
SCHEMBL29611741 0.87 CAPN1 (0.56) NTSR1CAPN1

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-12419824-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes LUBRIZOL ADVANCED MATERIALS, INC. (US) 2025-09-23 US disclosed
US-20220183950-A1 COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES LUBRIZOL ADVANCED MATERIALS, INC. (US) 2022-06-16 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-20220183950-A1 COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES TYR, TELO2, MTX2 CALCRL 3281/4885NTSR1 2437/4885AGTR1 1424/4885
US-12419824-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes TYR, TELO2, MTX2 CALCRL 3281/4885NTSR1 2437/4885AGTR1 1424/4885

“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.