SCHEMBL808520

SCHEMBL808520

CCC=CCCOC(=O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.41
NR1I2 O75469 2/20 0.41
PTGS2 P35354 2/20 0.41
PGR P06401 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 6/20 0.39
CYP19A1 P11511 4/20 0.39
PPARG P37231 3/20 0.39
OXER1 Q8TDS5 3/20 0.39
MAPT P10636 3/20 0.39
RXRA P19793 2/20 0.39
FFAR1 O14842 2/20 0.39
PPARA Q07869 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
LPAR2 Q9HBW0 3/20 0.38
LPAR3 Q9UBY5 3/20 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
SCHEMBL14992875 1.00 ADORA3 (0.41) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL808519 1.00 ADORA3 (0.41) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL14844476 0.89 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL14844478 0.89 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL9933295 0.84 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL21485375 0.84 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL406229 0.84 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL21485374 0.84 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL3383981 0.84 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL1532457 0.84 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822682-B1 MICROCAPSULES AND USES THEREOF FIRMENICH & CIE (CH) 2017-04-26 EP claimed
US-9334464-B2 Microcapsules and uses thereof FIRMENICH SA (CH) 2016-05-10 US claimed
EP-2822682-A1 MICROCAPSULES AND USES THEREOF Firmenich SA (CH) 2015-01-14 EP claimed
US-20140323376-A1 MICROCAPSULES AND USES THEREOF FIRMENICH SA (CH) 2014-10-30 US claimed
WO-2013079435-A1 MICROCAPSULES AND USES THEREOF FIRMENICH SA (CH) 2013-06-06 WO claimed
EP-1082287-B1 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR ALPHA-KETO ESTERS FIRMENICH & CIE (CH) 2004-03-17 EP claimed
US-20010014661-A1 Slow release of fragrant compounds in perfumery using alpha-keto esters FIRMENICH SA (CH) 2001-08-16 US claimed
US-6218355-B1 FOR RELEASING FRAGRANT COMPOUND OR COMPOUNDS IN A CONTROLLED MANNER, MAINTAINING A DESIRED SMELL OVER A PROLONGED PERIOD OF TIME FIRMENICH SA (CH) 2001-04-17 US claimed
EP-1082287-A2 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR ALPHA-KETO ESTERS FIRMENICH SA (CH) 2001-03-14 EP claimed
WO-1999060990-A2 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR α-KETO ESTERS FIRMENICH S.A. (CH) 1999-12-02 WO claimed
US-12264295-B2 Encapsulated pro-perfume compounds FIRMENICH SA (CH) 2025-04-01 US disclosed
CN-118949257-B NHDC/pyruvic acid binary liquid supermolecule self-assembly system and preparation method thereof 无锡市检验检测认证研究院(无锡市计量测试院、无锡市纤维检验中心) 2025-01-10 CN disclosed
CN-118949257-A NHDC/pyruvic acid binary liquid supermolecule self-assembly system and preparation method thereof 无锡市检验检测认证研究院(无锡市计量测试院、无锡市纤维检验中心) 2024-11-15 CN disclosed
US-20240277012-A1 DUPLICATE BEVERAGE WANG JIE (US) 2024-08-22 US disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
US-6492323-B2 CONTROLLED RELEASE UPON EXPOSURE TO LIGHT FIRMENICH SA (CH) 2002-12-10 US disclosed
US-20010014661-A1 Slow release of fragrant compounds in perfumery using alpha-keto esters FIRMENICH SA (CH) 2001-08-16 US disclosed
US-6218355-B1 FOR RELEASING FRAGRANT COMPOUND OR COMPOUNDS IN A CONTROLLED MANNER, MAINTAINING A DESIRED SMELL OVER A PROLONGED PERIOD OF TIME FIRMENICH SA (CH) 2001-04-17 US disclosed
EP-1082287-A2 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR ALPHA-KETO ESTERS FIRMENICH SA (CH) 2001-03-14 EP disclosed
WO-1999060990-A2 SLOW RELEASE OF FRAGRANT COMPOUNDS IN PERFUMERY USING 2-BENZOYL BENZOATES, 2-ALKANOYL BENZOATES OR α-KETO ESTERS FIRMENICH S.A. (CH) 1999-12-02 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 (2 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-20010014661-A1 Slow release of fragrant compounds in perfumery using alpha-keto esters FAAH, KHK, FAAH2 ADORA3 4228/4885NR1I2 864/4885PTGS2 1043/4885
US-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ADORA3 2392/4885NR1I2 3388/4885PTGS2 2509/4885

“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.