SCHEMBL8486388

SCHEMBL8486388

C=C(C)C1CCC(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TSHR P16473 4/20 0.46
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 3/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR2 Q92731 2/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.31
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
Ethylene SCHEMBL4704387 0.98 LMNA (0.45) LMNATSHRTRPA1ALDH1A1ALOX15
SCHEMBL27426155 0.88 ALDH1A1 (0.42) LMNATSHRTRPA1ALDH1A1ALOX15
SCHEMBL14191139 0.86
SCHEMBL4941703 0.79 ESR2 (0.37) LMNATSHRTRPA1ALDH1A1ESR2
Ethylene SCHEMBL4702024 0.78 LMNA (0.36) LMNATSHRTRPA1ESR2
SCHEMBL3820477 0.77 ESR2 (0.35) LMNATSHRTRPA1ALDH1A1CYP2C19
SCHEMBL3432652 0.77 LMNA (0.54) LMNATSHRTRPA1ALDH1A1ALOX15
SCHEMBL3626745 0.77 ESR2 (0.35) LMNATSHRTRPA1ALDH1A1ESR2
SCHEMBL8962209 0.77 LMNA (0.48) LMNATSHRTRPA1ALDH1A1ALOX15
SCHEMBL14827813 0.74 LMNA (0.39) LMNATSHRTRPA1ALDH1A1ALOX15

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
CN-115948200-B Tobacco material with spicy flavor, preparation method and application thereof 云南中烟工业有限责任公司 2024-01-19 CN claimed
CN-115948200-A Spicy cigarette material and preparation method and application thereof 云南中烟工业有限责任公司 2023-04-11 CN claimed
CN-115948200-B Tobacco material with spicy flavor, preparation method and application thereof 云南中烟工业有限责任公司 2024-01-19 CN disclosed
CN-115948200-B Tobacco material with spicy flavor, preparation method and application thereof 云南中烟工业有限责任公司 2024-01-19 CN disclosed
CN-115948200-A Spicy cigarette material and preparation method and application thereof 云南中烟工业有限责任公司 2023-04-11 CN disclosed
CN-115948200-A Spicy cigarette material and preparation method and application thereof 云南中烟工业有限责任公司 2023-04-11 CN disclosed
CN-110632207-B Method for identifying mold based on volatile gas components and evolution trend thereof 南京财经大学 2022-04-29 CN disclosed
CN-110632207-A Method for identifying mold based on volatile gas components and evolution trend thereof 南京财经大学 2019-12-31 CN disclosed
EP-2636665-B1 METHOD FOR PRODUCING ESTER UNIV NAGOYA NAT UNIV CORP (JP) 2016-06-22 EP disclosed
EP-2636665-B1 METHOD FOR PRODUCING ESTER UNIV NAGOYA NAT UNIV CORP (JP) 2016-06-22 EP disclosed
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
EP-2582692-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-24 EP disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
US-5889012-A INSECTICIDE, ACARICIDES, FUNGICIDES HOECHST-SCHERING AGREVO GMBH (DE) 1999-03-30 US disclosed
EP-0787128-A1 SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 1997-08-06 EP disclosed
WO-1996011913-A1 SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-04-25 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 (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-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 LMNA 4185/4885TSHR 899/4885TRPA1 350/4885

“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.