SCHEMBL6701878

SCHEMBL6701878

CC(=O)OCCOC(C)=O.CC(=O)ON.CC(=O)ON.[Na].[Na].[Na].[Na]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CHRM5 P08912 4/20 0.54
CHRM1 P11229 4/20 0.54
CHRM3 P20309 4/20 0.54
CHRM2 P08172 3/20 0.54
CHRM4 P08173 3/20 0.54
TSHR P16473 3/20 0.54
HTR1A P08908 2/20 0.54
CHRNB2 P17787 2/20 0.54
CHRNA7 P36544 2/20 0.54
CHRNA4 P43681 2/20 0.54
PGR P06401 1/20 0.54
TBXA2R P21731 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CHRNA10 Q9GZZ6 1/20 0.54
CHRNA9 Q9UGM1 1/20 0.54
GALR3 O60755 2/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL7144641 1.00 ALDH1A1 (0.54) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL10530192 1.00 ALDH1A1 (0.54) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL29427832 0.97 ALDH1A1 (0.56) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL5865827 0.97 ALDH1A1 (0.56) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL6697248 0.97 ALDH1A1 (0.56) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL28309544 0.97 ALDH1A1 (0.56) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL29446779 0.88 ALDH1A1 (0.65) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL64593 0.85 ALDH1A1 (0.68) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL2480199 0.83
SCHEMBL8912739 0.83 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040052826-A1 Cosmetic and pharmaceutical compositions and their use FERNANDEZ-KLEINLEIN ELENA (DE) 2004-03-18 US disclosed
EP-1335700-A1 COSMETIC AND PHARMACEUTICAL COMPOSITION COMPRISING CHELATING/SEQUESTERING AGENTS AND THEIR COSMETIC OR DERMATOLOGICAL USE JOHNSON & JOHNSON GmbH (DE) 2003-08-20 EP disclosed
WO-2002019981-A2 COSMETIC AND PHARMACEUTICAL COMPOSITION COMPRISING CHELATING/SEQUESTERING AGENTS AND THEIR COSMETIC AND DERMATOLOGICAL USE JOHNSON & JOHNSON GMBH (DE) 2002-03-14 WO disclosed
US-3980428-A ACID DYE, LACTONE SANDOZ LTD. (CH) 1976-09-14 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-20040052826-A1 Cosmetic and pharmaceutical compositions and their use CUTA, TYR, DSG1 ALDH1A1 2560/4885CHRM5 996/4885CHRM1 917/4885

“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.