SCHEMBL5004152

SCHEMBL5004152

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
GRIK1 P39086 4/20 0.33
GRIK2 Q13002 4/20 0.33
CPA1 P15085 1/20 0.32
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
ENPEP Q07075 2/20 0.31
BLM P54132 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
APAF1 O14727 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
SCHEMBL5004153 1.00 CYP2C19 (0.36) CYP2C19GABRR1CYP1A2GRIK1GRIK2
SCHEMBL4585236 0.84 GABRR1 (0.46) GABRR1CYP1A2GRIK1GRIK2FOLH1
SCHEMBL4585237 0.84 GABRR1 (0.46) GABRR1CYP1A2GRIK1GRIK2FOLH1
SCHEMBL9331263 0.81 GABRR1 (0.37) GABRR1CYP1A2GRIK1GRIK2FOLH1
SCHEMBL9331250 0.81 GABRR1 (0.37) GABRR1CYP1A2GRIK1GRIK2FOLH1
SCHEMBL10394425 0.81 GABRR1 (0.37) GABRR1CYP1A2GRIK1GRIK2FOLH1
SCHEMBL2536422 0.80
SCHEMBL7437585 0.80
SCHEMBL415118 0.80
SCHEMBL442545 0.79 ALDH1A1 (0.49) GRIK1GRIK2BLMALDH1A1MAPT

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 4 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-20080234172-A1 Substrate care products such as fabric conditioners, tumble dryer sheets, deodorants, and fabric sprays, with capsules having a hydrogel shell encapsulating volatile care products, especially fragrances GIVAUDAN SA (CH) 2008-09-25 US disclosed
EP-1814975-A1 SUBSTRATE CARE PRODUCT Givaudan SA (CH) 2007-08-08 EP disclosed
WO-2006056096-A1 SUBSTRATE CARE PRODUCT GIVAUDAN SA (CH) 2006-06-01 WO 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-20160089317-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS LPO, QDPR, TYR CYP2C19 352/4885GABRR1 2381/4885CYP1A2 186/4885

“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.