SCHEMBL585750

SCHEMBL585750

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ELANE P08246 5/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
FFAR1 O14842 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL2609246 1.00 HCAR2 (0.54) HCAR2ALDH1A1TP53HSD17B10ELANE
SCHEMBL16672701 0.85 HCAR2 (0.51) HCAR2ALDH1A1TP53HSD17B10ATM
SCHEMBL16713311 0.85 HCAR2 (0.51) HCAR2ALDH1A1TP53HSD17B10ATM
SCHEMBL16672981 0.84 HCAR2 (0.50) HCAR2ALDH1A1TP53HSD17B10ATM
SCHEMBL26065313 0.83 ELANE (0.47) HCAR2ALDH1A1ELANE
SCHEMBL4727666 0.83 HCAR2 (0.53) HCAR2ALDH1A1TP53HSD17B10ATM
SCHEMBL27887106 0.83 HCAR2 (0.53) HCAR2ALDH1A1TP53HSD17B10ATM
SCHEMBL5923692 0.83 HCAR2 (0.53) HCAR2ALDH1A1TP53HSD17B10ATM
SCHEMBL682792 0.82 HCAR2 (0.49) HCAR2ALDH1A1TP53HSD17B10ATM
SCHEMBL16672607 0.82 HCAR2 (0.49) HCAR2ALDH1A1TP53HSD17B10ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 US 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-6660288-B1 Particularly for mosquitoes; tricyclodecenyl allyl ether perfume (Fleuroxene\"); hydrophobicity such that the common logarithm of the octanol-water partition coefficient, log P, of the perfume ingredient is in the range 1.0 to 6.0 QUEST INTERNATIONAL B.V. (NL) 2003-12-09 US claimed
EP-1119250-B1 INSECT REPELLENTS QUEST INT (NL) 2002-11-06 EP claimed
EP-1119250-A1 INSECT REPELLENTS QUEST INTERNATIONAL NEDERLAND BV (NL) 2001-08-01 EP claimed
WO-2000019822-A1 INSECT REPELLENTS QUEST INTERNATIONAL B.V. (NL) 2000-04-13 WO claimed
WO-2024073622-A2 RADIOPHARMACEUTICAL COMPOSITIONS TARGETING EPHRIN TYPE-A RECEPTOR 2 AND USES THEREOF RAYZEBIO, INC. (US) 2024-04-04 WO disclosed
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
US-10202378-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 US disclosed
US-10006151-B2 Polyurethane fiber TORAY OPELONTEX CO., LTD. (JP) 2018-06-26 US disclosed
EP-2947185-B1 POLYURETHANE FIBER AND ITS USE TORAY OPELONTEX CO LTD (JP) 2018-02-28 EP disclosed
EP-1023480-A1 METHOD FOR TEXTILE TREATMENT FOR SPANDEX CONTAINING FABRICS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2000-08-02 EP disclosed
EP-1021160-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL NEDERLAND BV (NL) 2000-07-26 EP disclosed
WO-2000019822-A1 INSECT REPELLENTS QUEST INTERNATIONAL B.V. (NL) 2000-04-13 WO disclosed
WO-1999018926-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL B.V. (NL) 1999-04-22 WO disclosed
WO-1999019452-A1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX® CONTAINING FABRICS UNILEVER PLC (GB) 1999-04-22 WO disclosed
WO-1999019553-A1 METHOD FOR TEXTILE TREATMENT FOR SPANDEX CONTAINING FABRICS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-04-22 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 (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-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE CYP1B1, CYP4A22, ROS1 HCAR2 1953/4885ALDH1A1 17/4885TP53 3237/4885
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 HCAR2 79/4885ALDH1A1 1113/4885TP53 4092/4885
US-10202378-B2 Therapeutic compounds and uses thereof TAF1, TAF1L, TAF1B HCAR2 4498/4885ALDH1A1 2132/4885TP53 1865/4885

“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.