SCHEMBL6269635

SCHEMBL6269635

CC(C)(OC(=O)C(O)CO)OC(=O)C(O)CO

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.40
PRKCA P17252 1/20 0.35
RBP4 P02753 1/20 0.31
TSHR P16473 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL116798 0.86 OR51E2 (0.40) OR51E2PRKCARBP4TDP1
SCHEMBL2467809 0.80 OR51E2 (0.36) OR51E2PRKCATSHRCYP4F2CYP4A11
SCHEMBL18175972 0.77 ELANE (0.37) OR51E2PRKCARBP4
SCHEMBL10782612 0.74 OR51E2 (0.39) OR51E2
SCHEMBL10535243 0.72
SCHEMBL974432 0.72
SCHEMBL10538665 0.72
SCHEMBL473139 0.71 TSHR (0.36) TSHR
SCHEMBL473223 0.71 TSHR (0.36) TSHR
SCHEMBL1485462 0.71 TSHR (0.36) TSHR

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-20050276772-A1 Antiperspirant composition comprising polyol, antiperspirant active article containing same and method for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. 2005-12-15 US disclosed
EP-1604642-A1 Antiperspirant composition comprising polyol active, antiperspirant article containing same and method for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-12-14 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-20050276772-A1 Antiperspirant composition comprising polyol, antiperspirant active article containing same and method for using same SMPD1, PLD2, SMPD3 OR51E2 1008/4885PRKCA 1134/4885RBP4 3350/4885

“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.