SCHEMBL771008

SCHEMBL771008

C=C(C)C(=O)OCCOCCOCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.61
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TSHR P16473 6/20 0.46
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRM3 P20309 1/20 0.42
CHRNA4 P43681 1/20 0.42
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 2/20 0.35

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
SCHEMBL389440 1.00 THRB (0.61) THRBCA12CA1CA2CA9
SCHEMBL28671752 0.88 CHRM2 (0.54) THRBCA12CA1CA2CA9
SCHEMBL14984 0.88 CHRM2 (0.54) THRBCA12CA1CA2CA9
SCHEMBL6529961 0.87 THRB (0.51) THRBCA12CA1CA2CA9
SCHEMBL11650326 0.86 CHRM2 (0.52) THRBCA12CA1CA2CA9
Fluoride SCHEMBL1255040 0.86 CHRM2 (0.52) THRBCA12CA1CA2CA9
Ammonia Solution, Strong SCHEMBL8139148 0.86 CHRM2 (0.52) THRBCA12CA1CA2CA9
Hydrochloric Acid SCHEMBL129149 0.86 CHRM2 (0.52) THRBCA12CA1CA2CA9
Methyl Alcohol SCHEMBL21326731 0.86 CHRM2 (0.52) THRBCA12CA1CA2CA9
Bromide SCHEMBL1255341 0.86 CHRM2 (0.52) THRBCA12CA1CA2CA9

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-8753615-B2 Ethylene copolymer with PEG, cationic and anionic units, cosmetic composition including same and treatment method L'OREAL (FR) 2014-06-17 US disclosed
US-8753615-B2 Ethylene copolymer with PEG, cationic and anionic units, cosmetic composition including same and treatment method L'OREAL (FR) 2014-06-17 US disclosed
US-20120070399-A1 ETHYLENE COPOLYMER WITH PEG, CATIONIC AND ANIONIC UNITS, COSMETIC COMPOSITION INCLUDING SAME AND TREATMENT METHOD L'OREAL (FR) 2012-03-22 US disclosed
US-20120070399-A1 ETHYLENE COPOLYMER WITH PEG, CATIONIC AND ANIONIC UNITS, COSMETIC COMPOSITION INCLUDING SAME AND TREATMENT METHOD L'OREAL (FR) 2012-03-22 US disclosed
WO-2010116063-A1 ETHYLENE COPOLYMER WITH PEG, CATIONIC AND ANIONIC UNITS, COSMETIC COMPOSITION INCLUDING SAME AND TREATMENT METHOD L'OREAL (FR) 2010-10-14 WO 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-20120070399-A1 ETHYLENE COPOLYMER WITH PEG, CATIONIC AND ANIONIC UNITS, COSMETIC COMPOSITION INCLUDING SAME AND TREATMENT METHOD EGFR, ERCC1, ERCC5 THRB 3970/4885CA12 1361/4885CA1 2962/4885

“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.