SCHEMBL17629173

SCHEMBL17629173

CC/C=C/CCC(/C=C/CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
CYP19A1 P11511 4/20 0.42
PPARG P37231 3/20 0.42
OXER1 Q8TDS5 3/20 0.42
RXRA P19793 2/20 0.42
FFAR1 O14842 2/20 0.42
PTGS1 P23219 4/20 0.40
F7 P08709 3/20 0.40
F3 P13726 3/20 0.40
PPARA Q07869 3/20 0.40
KMT2A Q03164 2/20 0.40
PPARD Q03181 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1716437 1.00 ALDH1A1 (0.42) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL17629174 1.00 ALDH1A1 (0.42) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL27231166 1.00 ALDH1A1 (0.42) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL29275513 0.83 CHRM1 (0.44) MAPTFFAR1PPARDCYP3A4TDP1
SCHEMBL4832927 0.82 GRIK1 (0.34) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL4832932 0.82 GRIK1 (0.34) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL30853566 0.80 HCAR2 (0.39) ALDH1A1MAPTPPARA
SCHEMBL28685351 0.80 ALDH1A1 (0.42) ALDH1A1MAPTCYP19A1PPARGOXER1
SCHEMBL1129486 0.80 CA2 (0.45) MAPTFFAR1PPARDTDP1
SCHEMBL1129485 0.80 CA2 (0.45) MAPTFFAR1PPARDTDP1

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-20160090555-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-20160089317-A1 ANTIPERSPIRANT AND DEODORANT 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 ALDH1A1 252/4885MAPT 1070/4885CYP19A1 1095/4885

“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.