SCHEMBL6567217

SCHEMBL6567217

CCCCCCCCCCCCCC(=O)N(C)OC(C)=O.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
DNM1 Q05193 1/20 0.42
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
KDM5A P29375 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL28574537 1.00 ALDH1A1 (0.45) ALDH1A1CES2CES1DNM1GPR84
SCHEMBL28145232 0.98 ALDH1A1 (0.47) ALDH1A1CES2CES1DNM1GPR84
SCHEMBL10951765 0.98 ALDH1A1 (0.47) ALDH1A1CES2CES1DNM1GPR84
SCHEMBL28661870 0.89 EPHX2 (0.55) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL1305332 0.84 DNM1 (0.49) ALDH1A1CES2CES1DNM1GPR84
SCHEMBL10698778 0.83 DGKA (0.52) ALDH1A1CES2CES1DNM1GPR84
SCHEMBL21064713 0.82 CES2 (0.46) ALDH1A1CES2CES1DNM1ESR1
SCHEMBL9066139 0.81 DNM1 (0.50) ALDH1A1CES2CES1DNM1GPR84
SCHEMBL28174057 0.81 CES2 (0.46) ALDH1A1CES2CES1GPR84PPARG
SCHEMBL3963400 0.79 ALDH1A1 (0.50) ALDH1A1CES2CES1DNM1GPR84

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-20040091438-A1 Polyorganosiloxane emulsions,process for producing the same and material for cosmetic preparation DOW CORNING TORAY SILICONE CO. LTD. (JP) 2004-05-13 US disclosed
EP-1394215-A1 POLYORGANOSILOXANE EMULSION, PROCESS FOR PRODUCING THE SAME, AND MATERIAL FOR COSMETIC PREPARATION Dow Corning Toray Silicone Co., Ltd. (JP) 2004-03-03 EP 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-20040091438-A1 Polyorganosiloxane emulsions,process for producing the same and material for cosmetic preparation CUTA, UNG, PCNA ALDH1A1 720/4885CES2 3015/4885CES1 2217/4885

“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.