SCHEMBL8580784

SCHEMBL8580784

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.36
CYP19A1 P11511 2/20 0.36
RXRA P19793 2/20 0.36
PPARG P37231 2/20 0.36
OXER1 Q8TDS5 2/20 0.36
FFAR1 O14842 1/20 0.36
PRKCA P17252 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL573191 1.00 ADORA3 (0.41) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL573192 1.00 ADORA3 (0.41) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL29980849 0.88 PRKCA (0.33) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL5898820 0.82 ADORA3 (0.36) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL5898818 0.82 ADORA3 (0.36) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL20912984 0.81 SLC1A3 (0.37) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL17075354 0.81 PRKCA (0.37) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL17075355 0.81 PRKCA (0.37) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL22832723 0.80 ADORA3 (0.55) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL22832722 0.80 ADORA3 (0.55) ADORA3NR1I2PGRPTGS2PDE4D

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 150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
EP-3801449-A1 ORAL CARE COMPOSITION WITH IMPROVED DEPOSITION EFFICACY OF A COOLING SENSATE AGENT IN THE ORAL CAVITY The Procter & Gamble Company (US) 2021-04-14 EP claimed
US-10871363-B2 Oral care composition with improved deposition efficacy of a cooling sensate agent in the oral cavity THE PROCTER & GAMBLE COMPANY (US) 2020-12-22 US claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO claimed
WO-2019227274-A1 ORAL CARE COMPOSITION WITH IMPROVED DEPOSITION EFFICACY OF A COOLING SENSATE AGENT IN THE ORAL CAVITY THE PROCTER & GAMBLE COMPANY (US) 2019-12-05 WO claimed
US-20190209441-A1 GEL NETWORK HAIR TREATMENT COMPOSITIONS WITH REDUCED ODOR WELLA OPERATIONS US, LLC 2019-07-11 US claimed
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR WELLA OPERATIONS US, LLC 2019-06-27 US claimed
US-20190175476-A1 HAIR COLORING OR BLEACHING COMPOSITION WITH REDUCED ODOR WELLA OPERATIONS US, LLC 2019-06-13 US claimed
US-20190155975-A9 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2019-05-23 US claimed
US-10240108-B2 Particles for malodor reduction THE PROCTER & GAMBLE COMPANY (US) 2019-03-26 US claimed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049407-A1 ABSORBENT ARTICLE COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160090557-A1 SUBSTRATES COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049395-A1 PRODUCTS COMPRISING MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160090556-A1 PRODUCTS COMPRISING MALODOR REDUCTION MATERIALS 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
US-20160090555-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049394-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049455-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049458-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO 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 (3 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 ADORA3 2556/4885NR1I2 1139/4885PGR 2228/4885
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR MAL2, MSH6, OR51E2 ADORA3 2255/4885NR1I2 1935/4885PGR 378/4885
US-10871363-B2 Oral care composition with improved deposition efficacy of a cooling sensate agent in the oral cavity ORAI1, TRPM4, TRPM7 ADORA3 684/4885NR1I2 3344/4885PGR 3348/4885

“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.