SCHEMBL29173992

SCHEMBL29173992

CCCCCCCCCCCCCCCCCCCCCCN(CCC)CCCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.52
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
KDM5A P29375 3/20 0.46
PHF8 Q9UPP1 2/20 0.46
KDM4C Q9H3R0 1/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KCNH2 Q12809 3/20 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
SCHEMBL4954380 1.00 DNM1 (0.52) DNM1TSHRTHRBKDM5APHF8
SCHEMBL11260957 1.00 DNM1 (0.52) DNM1TSHRTHRBKDM5APHF8
SCHEMBL29286832 1.00 DNM1 (0.52) DNM1TSHRTHRBKDM5APHF8
SCHEMBL516726 1.00 DNM1 (0.52) DNM1TSHRTHRBKDM5APHF8
SCHEMBL238078 1.00 DNM1 (0.52) DNM1TSHRTHRBKDM5APHF8
SCHEMBL4946265 1.00 DNM1 (0.52) DNM1TSHRTHRBKDM5APHF8
SCHEMBL4950674 1.00 DNM1 (0.52) DNM1TSHRTHRBKDM5APHF8
SCHEMBL23921264 0.97 DNM1 (0.48) DNM1TSHRTHRBKDM5APHF8
SCHEMBL24728617 0.97 DNM1 (0.55) DNM1TSHRTHRBKDM5APHF8
SCHEMBL24372535 0.97 DNM1 (0.55) DNM1TSHRTHRBKDM5APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118175983-A Hair treatment composition 莱雅公司 2024-06-11 CN disclosed
CN-117715613-A Hair composition comprising at least 50% polyol 莱雅公司 2024-03-15 CN disclosed
US-11389390-B2 Compositions containing polymers, wax, and cationic surfactant for conditioning and styling hair L'OREAL (FR) 2022-07-19 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-11389390-B2 Compositions containing polymers, wax, and cationic surfactant for conditioning and styling hair NACA, BYSL, PTCD3 DNM1 3257/4885TSHR 2445/4885THRB 3161/4885

“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.