SCHEMBL585318

SCHEMBL585318

CC(C)C(=O)OC(C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.58
KMT2A Q03164 1/20 0.48
ELANE P08246 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KLK7 P49862 1/20 0.44
FFAR1 O14842 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 2/20 0.41
SRC P12931 1/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR3 Q9UBY5 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
ALOX5 P09917 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40

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
SCHEMBL28865683 0.89 HCAR2 (0.49) HCAR2KMT2AELANEALDH1A1TP53
SCHEMBL721076 0.88 HCAR2 (0.54) HCAR2KMT2AALDH1A1TP53HSD17B10
SCHEMBL721077 0.88 HCAR2 (0.54) HCAR2KMT2AALDH1A1TP53HSD17B10
Hydrochloric Acid SCHEMBL29787409 0.86 HCAR2 (0.53) HCAR2KMT2AALDH1A1TP53HSD17B10
Hydrochloric Acid SCHEMBL858822 0.86 HCAR2 (0.53) HCAR2KMT2AALDH1A1TP53HSD17B10
SCHEMBL7284865 0.86 HCAR2 (0.56) HCAR2KMT2AALDH1A1TP53HSD17B10
SCHEMBL10254557 0.86 HCAR2 (0.56) HCAR2KMT2AALDH1A1TP53HSD17B10
SCHEMBL7284857 0.86 HCAR2 (0.56) HCAR2KMT2AALDH1A1TP53HSD17B10
SCHEMBL16672812 0.84 HCAR2 (0.54) HCAR2KMT2AALDH1A1TP53HSD17B10
SCHEMBL14838359 0.84 HCAR2 (0.54) HCAR2KMT2AALDH1A1TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024240269-A1 KLUYVEROMYCES MARXIANUS STRAIN AND USE THEREOF 安琪酵母股份有限公司 2024-11-28 WO claimed
CN-117396591-A Fragrance and evaluation method for improving happy state 奇华顿股份有限公司 2024-01-12 CN claimed
US-11603506-B2 Product comprising a plastic container and a substance composition SYMRISE AG (DE) 2023-03-14 US claimed
US-20220364016-A1 PERFUME OIL MIXTURE SYMRISE AG (DE) 2022-11-17 US claimed
EP-4025675-A1 A PERFUME OIL MIXTURE Symrise AG (DE) 2022-07-13 EP claimed
WO-2022128057-A1 MEDICAMENT FOR PREVENTION AND TREATMENT OF COLLAGEN DEGRADATION IN HUMAN CONNECTING TISSUE SYMRISE AG (DE) 2022-06-23 WO claimed
CN-114364773-A Aromatic oil mixture 西姆莱斯股份公司 2022-04-15 CN claimed
WO-2021043585-A1 A PERFUME OIL MIXTURE SYMRISE AG (DE) 2021-03-11 WO claimed
EP-3006547-B1 FRAGRANCE-CONTAINING CAPSULE AND COSMETIC IN WHICH SAID CAPSULES ARE BLENDED SHISEIDO CO LTD (JP) 2019-10-30 EP claimed
US-20190225396-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION SYMRISE AG (DE) 2019-07-25 US claimed
CN-104673703-A Bacillus capable of simultaneously promoting saccharomyces cerevisiae to produce alcohol and flavor substances and application thereof UNIV JIANGNAN 2015-06-03 CN claimed
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
CN-101760302-A Honeysuckle essence ENPING CHEN 2010-06-30 CN claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 US claimed
CN-1330743-C Detergent compositions containing enduring perfume PROCTER & GAMBLE (US) 2007-08-08 CN claimed
US-20060166857-A1 4,8-Dimethyl-7-nonen-2-one and 4,8-dimethylnonan-2-one used as perfumes SYMRISE GMBH & CO. KG (DE) 2006-07-27 US claimed
US-6780835-B2 DEODORANT FOR TREATING TEXTILES INCORPORATING SPANDEX QUEST INTERNATIONAL B.V. (NL) 2004-08-24 US claimed
EP-1029032-B1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2004-03-03 EP claimed
US-4582635-A SUSTAINED RELEASE TAKASAGO PERFUMERY CO., LTD. (JP) 1986-04-15 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-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE CYP1B1, CYP4A22, ROS1 HCAR2 1953/4885KMT2A 585/4885ELANE 3825/4885

“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.