SCHEMBL6010463

SCHEMBL6010463

C=C(CC)C(=O)OCC[N+](C)(CC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.35
CHRM3 P20309 6/20 0.35
CHRM5 P08912 5/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
CHRM4 P08173 5/20 0.34
CHRM2 P08172 4/20 0.34
ACHE P22303 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
APEX1 P27695 1/20 0.33
THRB P10828 1/20 0.33
HTR1A P08908 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA7 P36544 2/20 0.32
CHRNA4 P43681 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
PGR P06401 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL452716 0.90 ALDH1A1 (0.41) CHRM1CHRM3CHRM5CHRM4CHRM2
SCHEMBL3447567 0.85 THRB (0.49) CHRM1CHRM3CHRM5MAPTBLM
SCHEMBL8733322 0.80 CHRM5 (0.55) CHRM1CHRM3CHRM5MAPTBLM
SCHEMBL3092716 0.80 ALDH1A1 (0.46) CHRM1CHRM3CHRM5MAPTBLM
SCHEMBL2988331 0.78 TSHR (0.57) CHRM1CHRM3CHRM5MAPTBLM
SCHEMBL57345 0.75 THRB (0.50) ACHELMNATHRBTSHR
SCHEMBL9646938 0.72 TSHR (0.55) ACHEAPEX1THRBTSHR
SCHEMBL3478021 0.72 TSHR (0.45) CHRM1SMN1; SMN2LMNATHRBTSHR
SCHEMBL19456885 0.72 TSHR (0.50) ACHEAPEX1THRBTSHR
SCHEMBL5709205 0.71 TSHR (0.46) ACHEAPEX1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391292-B1 COMPOSITIONS FOR FORM RETENTION OF AND/OR FIXING HAIRSTYLE WHICH PROVIDE HAIR WITH GOOD COSMETIC PROPERTIES, IN PARTICULAR GOOD DISENTANGLING, SOFTNESS AND PLEASANT APPEARANCE, IN ADDITION TO FIXING WHICH LASTS L'ORéAL S.A. (FR) 2002-05-21 US claimed
CN-101015511-B Cosmetic composition, cosmetic process and use of the composition OU LAIYA 2012-11-21 CN disclosed
CN-101015511-A Cosmetic composition, cosmetic process and use of the composition OREAL (FR) 2007-08-15 CN disclosed
US-7151079-B2 Cosmetic compositions containing a fructan, a polysaccharide and a beneficial agent, and uses thereof L'OREAL (FR) 2006-12-19 US disclosed
US-20040106529-A1 Cosmetic compositions containing a fructan, a polysaccharide and a benefical agent, and uses thereof L'OREAL (FR) 2004-06-03 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-20040106529-A1 Cosmetic compositions containing a fructan, a polysaccharide and a benefical agent, and uses thereof DSG1, CUTA, SHH CHRM1 2449/4885CHRM3 2802/4885CHRM5 2433/4885

“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.