SCHEMBL4943037

SCHEMBL4943037

C=C(CCCCCCCCCCCCCCCC)OCCO

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
DGKA P23743 1/20 0.45
TSHR P16473 5/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACHE P22303 1/20 0.40
MGLL Q99685 1/20 0.40
CNR2 P34972 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38

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
SCHEMBL12380748 1.00 MEN1 (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL723723 0.91 TSHR (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1142832 0.87 DGKA (0.48) MEN1KMT2ADGKATSHRALDH1A1
SCHEMBL1142293 0.87 DGKA (0.48) MEN1KMT2ADGKATSHRALDH1A1
SCHEMBL1142380 0.87 DGKA (0.48) MEN1KMT2ADGKATSHRALDH1A1
SCHEMBL1142604 0.87 TSHR (0.48) DGKATSHRALDH1A1CES2CES1
SCHEMBL1142331 0.87 TSHR (0.48) DGKATSHRALDH1A1CES2CES1
SCHEMBL9680030 0.87 TSHR (0.53) DGKATSHRCES2CES1
SCHEMBL1142903 0.87 DGKA (0.48) MEN1KMT2ADGKATSHRALDH1A1
SCHEMBL1142743 0.87 TSHR (0.48) DGKATSHRALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080003245-A1 Use of octyl salicylate in cosmetic preparations containing 1,3-dihydroxyacetone BEIERSDORF AG (DE) 2008-01-03 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-20080003245-A1 Use of octyl salicylate in cosmetic preparations containing 1,3-dihydroxyacetone ALDH1A1, ALDH3A1, ALDH1A3 MEN1 3724/4885KMT2A 2664/4885THRB 3459/4885

“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.