SCHEMBL4305663

SCHEMBL4305663

CC(C)(CCC(=O)OC=O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP8 P22894 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 1/20 0.36
TSHR P16473 2/20 0.36
RECQL P46063 2/20 0.35
CYP1A2 P05177 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
SCHEMBL868677 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19MMP8
SCHEMBL5750562 0.80 MMP8 (0.51) ALDH1A1MMP8SMN1; SMN2TDP1RECQL
SCHEMBL5750633 0.79 KEAP1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19MMP8
SCHEMBL14952781 0.75 TDP1 (0.63) ALDH1A1SMN1; SMN2HTTKMT2ATDP1
SCHEMBL317209 0.74 MMP8 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MMP8
SCHEMBL27428759 0.74 TDP1 (0.61) ALDH1A1SMN1; SMN2HTTKMT2ATDP1
SCHEMBL27608422 0.72 HDAC1 (0.58) SMN1; SMN2KMT2AL3MBTL1TDP1LMNA
SCHEMBL586261 0.72 SMN1; SMN2 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL28548162 0.72 SLC6A2 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19MMP8
SCHEMBL2774750 0.71 MAPT (0.58) SMN1; SMN2KMT2ATDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771793-B2 Malodor reduction in air care applications Agilex Flavors and Fragrances, Inc. (US) 2023-10-03 US claimed
US-11603506-B2 Product comprising a plastic container and a substance composition SYMRISE AG (DE) 2023-03-14 US claimed
WO-2021179088-A1 TERPENE-ENHANCED COMPOSITIONS AND USES THEREOF HEXO OPERATIONS INC. (CA) 2021-09-16 WO claimed
US-20190225396-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION SYMRISE AG (DE) 2019-07-25 US claimed
EP-3507352-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION Symrise AG (DE) 2019-07-10 EP claimed
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR WELLA OPERATIONS US, LLC 2019-06-27 US claimed
CN-109642184-A Product including plastic containers and composition of matter 西姆莱斯有限公司 2019-04-16 CN claimed
US-20180087005-A1 Fragrance Compositions Comprising Ionic Liquids THE PROCTER & GAMBLE COMPANY 2018-03-29 US claimed
WO-2018053183-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR NOXELL CORPORATION (US) 2018-03-22 WO claimed
WO-2018053065-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR THE PROCTER & GAMBLE COMPANY (US) 2018-03-22 WO claimed
EP-3295925-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR Noxell Corporation (US) 2018-03-21 EP claimed
WO-2018041354-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION SYMRISE AG (DE) 2018-03-08 WO claimed
US-9840680-B2 Fragrance compositions comprising ionic liquids THE PROCTER & GAMBLE COMPANY (US) 2017-12-12 US claimed
US-11779530-B2 Composition for the permanent deformation of hair having reduced odor WELLA OPERATIONS US, LLC (US) 2023-10-10 US disclosed
US-20230276854-A1 AEROSOL GENERATING DEVICE WITH ODOUR INHIBITION ASSEMBLY PHILIP MORRIS PRODUCTS S.A. (CH) 2023-09-07 US disclosed
EP-4185135-A1 AEROSOL GENERATING DEVICE WITH ODOUR INHIBITION ASSEMBLY Philip Morris Products S.A. (CH) 2023-05-31 EP disclosed
US-20130338403-A1 NOVEL ALICYCLIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-12-19 US disclosed
EP-2660233-A1 NOVEL ALICYCLIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-11-06 EP disclosed
US-8080514-B2 2-alkoxymethyl-3-isoalkenyl-1-methylcyclopentenes, use thereof, in particular as fragrance substances, corresponding articles and production methods SYMRISE AG (DE) 2011-12-20 US disclosed
US-20090092725-A1 2-ALKOXYMETHYL-3-ISOALKENYL-1-METHYLCYCLOPENTENES, USE THEREOF, IN PARTICULAR AS FRAGRANCE SUBSTANCES, CORRESPONDING ARTICLES AND PRODUCTION METHODS SYMRISE GMBH & CO., KG (DE) 2009-04-09 US 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 (5 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-20090092725-A1 2-ALKOXYMETHYL-3-ISOALKENYL-1-METHYLCYCLOPENTENES, USE THEREOF, IN PARTICULAR AS FRAGRANCE SUBSTANCES, CORRESPONDING ARTICLES AND PRODUCTION METHODS EMG1, PRMT1, PRMT5 ALDH1A1 135/4885CYP3A4 340/4885CYP2C9 519/4885
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR MAL2, MSH6, OR51E2 ALDH1A1 33/4885CYP3A4 1285/4885CYP2C9 1014/4885
US-11779530-B2 Composition for the permanent deformation of hair having reduced odor OR51E2, MAL2, OR10J3 ALDH1A1 24/4885CYP3A4 1027/4885CYP2C9 1210/4885
US-20130338403-A1 NOVEL ALICYCLIC ALCOHOL FIP1L1, FABP1, ADH1A ALDH1A1 163/4885CYP3A4 591/4885CYP2C9 2488/4885
US-20180087005-A1 Fragrance Compositions Comprising Ionic Liquids CUTA, TRPA1, POLR1C ALDH1A1 958/4885CYP3A4 997/4885CYP2C9 783/4885

“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.