SCHEMBL2438529

SCHEMBL2438529

CC(CCO)CCC(C)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
TRPA1 O75762 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL19852714 0.83
SCHEMBL258254 0.83
SCHEMBL11059751 0.83 ALDH1A1 (0.55) ALDH1A1ALOX15TRPA1THRBTDP1
SCHEMBL11837362 0.81 ALDH1A1 (0.44) ALDH1A1ALOX15TRPA1TSHR
SCHEMBL28762 0.80
SCHEMBL1658539 0.79 TSHR (0.48) TSHR
SCHEMBL28094194 0.79 TRPA1 (0.42) ALDH1A1ALOX15TRPA1THRBTDP1
SCHEMBL7712324 0.78 ALDH1A1 (0.46) ALDH1A1ALOX15TRPA1THRBTDP1
SCHEMBL14280938 0.78 ALDH1A1 (0.46) ALDH1A1ALOX15TRPA1THRBTDP1
Ethylene Glycol SCHEMBL5930511 0.76 ALDH1A1 (0.55) ALDH1A1ALOX15TRPA1THRBTDP1

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-8735476-B2 Method for producing mono-carboxy-functionalized dialkylphosphinic acids, esters and salts using a vinyl ester of a carboxylic acid and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-27 US disclosed
US-20110237721-A1 Method for Producing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ester of a Carboxylic Acid and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-29 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-20110237721-A1 Method for Producing Mono-Carboxy-Functionalized Dialkylphosphinic Acids, Esters and Salts Using a Vinyl Ester of a Carboxylic Acid and the Use Thereof SCO2, HAO2, DAO ALDH1A1 2342/4885ALOX15 17/4885TRPA1 3611/4885

“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.