SCHEMBL7694807

SCHEMBL7694807

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MMP8 P22894 1/20 0.36
GLO1 Q04760 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9190299 0.92 ALDH1A1 (0.42) LMNAALDH1A1HSD17B10FNTAFNTB
SCHEMBL11774659 0.85 CYP2D6 (0.40) LMNAALDH1A1HSD17B10FNTAFNTB
SCHEMBL11475784 0.85 MEN1 (0.44) LMNAALDH1A1HSD17B10MMP8GLO1
SCHEMBL11475788 0.85 MEN1 (0.44) LMNAALDH1A1HSD17B10MMP8GLO1
SCHEMBL14815134 0.84 FNTA (0.64) ALDH1A1FNTAFNTBALOX15MEN1
SCHEMBL10297989 0.84 FNTA (0.64) ALDH1A1FNTAFNTBALOX15MEN1
SCHEMBL254999 0.84 FNTA (0.64) ALDH1A1FNTAFNTBALOX15MEN1
SCHEMBL14826006 0.84 FNTA (0.64) ALDH1A1FNTAFNTBALOX15MEN1
SCHEMBL10297987 0.84 FNTA (0.64) ALDH1A1FNTAFNTBALOX15MEN1
SCHEMBL11130468 0.83 GLO1 (0.40) LMNAALDH1A1HSD17B10FNTAFNTB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380661-B Synthetic method of (+/-) -lavender alcohol 安徽中烟工业有限责任公司 2023-11-24 CN claimed
CN-114380661-A Method for synthesizing (+/-) -lavender alcohol 安徽中烟工业有限责任公司 2022-04-22 CN claimed
CN-114380661-B Synthetic method of (+/-) -lavender alcohol 安徽中烟工业有限责任公司 2023-11-24 CN disclosed
CN-110981710-B Method for synthesizing methyl heptenone from isoprene 万华化学集团股份有限公司 2022-11-08 CN disclosed
CN-114380661-A Method for synthesizing (+/-) -lavender alcohol 安徽中烟工业有限责任公司 2022-04-22 CN disclosed
CN-114380661-A Method for synthesizing (+/-) -lavender alcohol 安徽中烟工业有限责任公司 2022-04-22 CN disclosed
CN-110981710-A Method for synthesizing methyl heptenone from isoprene 万华化学集团股份有限公司 2020-04-10 CN disclosed
US-20080200733-A1 Processes For The Preparation Of Purified Solanesol, Solanesyl Bromide & Solanesyl Acetone NICHOLAS PIRAMAL INDIA LIMITED (IN) 2008-08-21 US disclosed
US-6348618-B1 PREPARING ORGANOLEPTIC OR ANTIMICROBIAL COMPOUNDS BY CONTACTING BETA-KETO ESTER WITH MATERIAL SELECTED FROM BACTERIA, ENZYMES, AND MATERIAL HAVING ACIDIC OR ALKALINE PH, ELEVATING TEMPERATURE, EXPOSING TO LIGHT GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2002-02-19 US disclosed
US-6222062-B1 USEFUL AS PRECURSORS FOR ORGANOLEPTIC COMPOUNDS, ESPECIALLY FOR FLAVORS, FRAGRANCES AND MASKING AGENTS AND ANTIMICROBIAL COMPOUNDS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-04-24 US disclosed
EP-1090624-A2 Beta ketoester Givaudan SA (CH) 2001-04-11 EP disclosed
US-6049010-A Method of preparing 3-(3-methyl-2-buten-1-yl)-2,4-pentanedione and related dicarbonyl compounds LOYOLA UNIVERSITY OF CHICAGO (US) 2000-04-11 US disclosed
EP-0911315-A1 Beta-ketoester Givaudan Roure (International) S.A. (CH) 1999-04-28 EP 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 (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-20080200733-A1 Processes For The Preparation Of Purified Solanesol, Solanesyl Bromide & Solanesyl Acetone NDUFB10, SQOR, ACAA2 LMNA 3268/4885ALDH1A1 936/4885HSD17B10 31/4885

“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.