SCHEMBL6565353

SCHEMBL6565353

[CH2]C(N)C(=O)CCCCCCCCCC.[NaH].[NaH]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.55
CES1 P23141 3/20 0.48
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR84 Q9NQS5 2/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
TLR2 O60603 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL27963546 1.00 CES2 (0.55) CES2CES1MEN1FAAHMAPK1
SCHEMBL28128898 0.98 CES2 (0.57) CES2CES1MEN1FAAHMAPK1
SCHEMBL27481411 0.89
SCHEMBL27448649 0.87 FAAH (0.62) MEN1FAAHKMT2APPARGPPARD
SCHEMBL26097366 0.81 CES2 (0.57) CES2CES1MEN1FAAHMAPK1
SCHEMBL28650034 0.80 CES2 (0.61) CES2CES1MEN1KMT2AGPR84
SCHEMBL11172888 0.80 CES2 (0.61) CES2CES1MEN1KMT2AGPR84
SCHEMBL2440945 0.80 CES2 (0.61) CES2CES1MEN1KMT2AGPR84
SCHEMBL430826 0.80 CES2 (0.61) CES2CES1MEN1KMT2AGPR84
SCHEMBL430824 0.80 CES2 (0.61) CES2CES1MEN1KMT2AGPR84

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 CES2 3015/4885CES1 2217/4885MEN1 4110/4885

“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.