SCHEMBL17629134

SCHEMBL17629134

CCCCCOC(=O)/C=C\c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.66
AKR1B10 O60218 4/20 0.63
AKR1B1 P15121 4/20 0.63
HCAR2 Q8TDS4 2/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 1/20 0.57
EGFR P00533 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAOB P27338 1/20 0.54
ATM Q13315 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL356459 1.00 APP (0.66) APPAKR1B10AKR1B1HCAR2LMNA
SCHEMBL356458 1.00 APP (0.66) APPAKR1B10AKR1B1HCAR2LMNA
Heptyl Cinnamate SCHEMBL2290285 0.98 APP (0.67) APPAKR1B10AKR1B1HCAR2LMNA
Octyl Cinnamate SCHEMBL157362 0.98 APP (0.67) APPAKR1B10AKR1B1HCAR2LMNA
Heptyl Cinnamate SCHEMBL2290288 0.98 APP (0.67) APPAKR1B10AKR1B1HCAR2LMNA
SCHEMBL1170007 0.98 APP (0.67) APPAKR1B10AKR1B1HCAR2LMNA
SCHEMBL19460592 0.98 APP (0.67) APPAKR1B10AKR1B1HCAR2LMNA
SCHEMBL13478962 0.98 APP (0.67) APPAKR1B10AKR1B1HCAR2LMNA
Octyl Cinnamate SCHEMBL157363 0.98 APP (0.67) APPAKR1B10AKR1B1HCAR2LMNA
SCHEMBL1170009 0.98 APP (0.67) APPAKR1B10AKR1B1HCAR2LMNA

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-20160089317-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-20160090555-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 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-20160089317-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS LPO, QDPR, TYR APP 3432/4885AKR1B10 717/4885AKR1B1 1053/4885

“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.