SCHEMBL6857401

SCHEMBL6857401

CCCCCCCCCCCCCCCCCC(=O)OC(C)(OC(=O)CCCCCCCCCCCCCCCCC)N(C)C.COOS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.39
▸ DGKA P23743 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ LMNA P02545 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ POLA1 P09884 1/20 0.36
▸ PAM P19021 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ NAAA Q02083 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
Sulfuric Acid SCHEMBL29112174 0.89 DNM1 (0.45) DNM1DGKACA12CA2CA7
SCHEMBL7171799 0.86 DNM1 (0.38) DNM1DGKACA12CA2CA7
SCHEMBL7171801 0.86 MAPT (0.39) DNM1DGKACA12CA2CA7
SCHEMBL6220963 0.85 DNM1 (0.50) DNM1DGKALMNAPOLBPOLA1
Hydrochloric Acid SCHEMBL16611503 0.84 DNM1 (0.49) DNM1DGKALMNAPOLBPOLA1
Hydrochloric Acid SCHEMBL28400971 0.84 DNM1 (0.49) DNM1DGKALMNAPOLBPOLA1
Hydrochloric Acid SCHEMBL8331673 0.84 DNM1 (0.49) DNM1DGKALMNAPOLBPOLA1
SCHEMBL6031181 0.81 DGKA (0.41) DGKA
SCHEMBL28504652 0.76 MAPT (0.41) DNM1DGKACA12CA2CA7
SCHEMBL28395367 0.76 MAPT (0.41) DNM1DGKACA12CA2CA7

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-6787128-B2 LOTION FOR USE AFTER OXIDATIVE COLORING OR PERMANENT WAVE FIXING COMPRISING VITAMIN B6 DERIVATIVES, IMPROVING STRENGTH AND WASHFASTNESS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-09-07 — — US disclosed
US-20030113280-A1 Structure-improving hair care agents HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2003-06-19 — — 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-20030113280-A1 Structure-improving hair care agents KRT18, PROC, S100A6 DNM1 3774/4885DGKA 3035/4885CA12 2990/4885

“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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