2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL3847865

CC(O)COc1ccccc1.CCCCC(CC)C(=O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
MAPK1 P28482 2/20 0.54
CA2 P00918 1/20 0.54
ALOX5 P09917 7/20 0.47
PPARG P37231 7/20 0.47
PTGES O14684 6/20 0.47
PPARA Q07869 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
CNR2 P34972 1/20 0.42
PLA2G4B P0C869 1/20 0.41

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
SCHEMBL4550642 0.86 ALOX5 (0.53) LMNAMAPK1CA2ALOX5PPARG
Diphenylether SCHEMBL3847863 0.84 MAPK1 (0.54) LMNAMAPK1CA2ALOX5PPARG
SCHEMBL3966237 0.81 ALOX5 (0.49) LMNAALOX5PPARGPTGESPPARA
2-Ethylhexanoic Acid SCHEMBL31053745 0.81 CA2 (0.62) MAPK1CA2ALOX5PPARGPTGES
SCHEMBL13431008 0.80 CA2 (0.45) LMNAMAPK1CA2ALOX5PPARG
SCHEMBL11052073 0.79 LMNA (0.53) LMNAPPARGPPARAMTNR1AMTNR1B
Acetic Acid SCHEMBL3252060 0.77 LMNA (0.85) LMNAPPARGPPARAMAPTMTNR1A
2-Ethylhexanoic Acid SCHEMBL28106404 0.77 CA2 (0.83) MAPK1CA2MEN1ALDH1A1MAPT
2-Ethylhexanoic Acid SCHEMBL27575740 0.77 CA2 (0.91) MAPK1CA2ALOX5PPARGPTGES
SCHEMBL3254859 0.77 LMNA (1.00) LMNAMEN1ALDH1A1KMT2AMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8246906-B2 Antimicrobial composition ECOLAB USA INC. (US) 2012-08-21 US claimed
US-20090196939-A1 ANTIMICROBIAL COMPOSITION ECOLAB INC. (US) 2009-08-06 US claimed
US-20060160712-A1 Antimicrobial composition ECOLAB USA INC. 2006-07-20 US claimed

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-20090196939-A1 ANTIMICROBIAL COMPOSITION PRDX6, PRDX1, PLA2G6 LMNA 902/4885MAPK1 2580/4885CA2 1560/4885

“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.