SCHEMBL709450

SCHEMBL709450

CC(=O)OCC(C)C=O.CC(=O)OCCCC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.40
MAPT P10636 3/20 0.38
TSHR P16473 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL709300 0.85
SCHEMBL709217 0.85
SCHEMBL3111006 0.79 ALDH1A1 (0.54) ALDH1A1ALOX15MAPTTSHRSMN1; SMN2
SCHEMBL27989548 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15MAPTTSHRSMN1; SMN2
SCHEMBL2124125 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTTSHRSMN1; SMN2
SCHEMBL630948 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTTSHRSMN1; SMN2
SCHEMBL1300597 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTTSHRSMN1; SMN2
SCHEMBL52421 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTTSHRSMN1; SMN2
SCHEMBL11581868 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTTSHRSMN1; SMN2
SCHEMBL8813032 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTTSHRSMN1; SMN2

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-8124805-B2 Allyl acetate hydroformylation process LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2012-02-28 US disclosed
US-20110124904-A1 Allyl acetate hydroformylation process LYONDELL CHEMICAL TECHNOLOGY, L.P. 2011-05-26 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-20110124904-A1 Allyl acetate hydroformylation process GNPAT, DHPS, ALDH3A1 ALDH1A1 24/4885ALOX15 587/4885MAPT 4384/4885

“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.