SCHEMBL113909

SCHEMBL113909

CCOC(=O)C1C(C)=C(C)CCC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TP53 P04637 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL23092043 1.00 ALDH1A1 (0.36) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL29402949 0.85 ALDH1A1 (0.34) ALDH1A1TP53ALOX15
SCHEMBL10886647 0.84 HSP90AA1 (0.36) ALDH1A1LMNAMAPTKDM4E
SCHEMBL9579824 0.84 LMNA (0.36) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL2264463 0.81 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL11455549 0.78 ALDH1A1 (0.32) ALDH1A1ALOX15
SCHEMBL11455547 0.78 ALDH1A1 (0.32) ALDH1A1ALOX15
SCHEMBL14248383 0.75 ALDH1A1 (0.41) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL11447479 0.75 CYP1A2 (0.32)
SCHEMBL11447481 0.75 CYP1A2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
US-20220274913-A1 PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE SOLVAY SA (BE) 2022-09-01 US claimed
EP-4028383-A1 PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE SOLVAY SA (BE) 2022-07-20 EP claimed
CN-114401944-A Process for making substituted cyclohexanecarbonitriles 索尔维公司 2022-04-26 CN claimed
CN-109152711-B Method for producing perfume capsules with improved surfactant stability 西姆莱斯股份公司 2021-10-22 CN claimed
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN claimed
WO-2021048364-A1 PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE SOLVAY SA (BE) 2021-03-18 WO claimed
EP-3507352-A1 PRODUCT COMPRISING A PLASTIC CONTAINER AND A SUBSTANCE COMPOSITION Symrise AG (DE) 2019-07-10 EP claimed
EP-3423028-A1 METHOD FOR THE PRODUCTION OF SCENT CAPSULES WITH IMPROVED SURFACTANT STABLITY Symrise AG (DE) 2019-01-09 EP claimed
EP-1697386-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES General Electric Company A Corporation of the State of New York (US) 2006-09-06 EP 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
WO-2005066186-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
US-20050136021-A1 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-4570648-A Flavorants containing esters of 2,3,6,6-tetramethylcyclohexenyl carboxylic acids GIVAUDAN CORPORATION (US) 1986-02-18 US claimed
US-4474687-A PERFUMES, FLAYORS GIVAUDAN CORPORATION (US) 1984-10-02 US claimed
US-4375001-A ORGANOLEPTIC AGENT GIVAUDAN CORPORATION 1983-02-22 US claimed
EP-0021100-B1 CYCLOHEXENES ON THEIR OWN OR MIXED WITH (IV), PROCESS FOR PREPARATION OF (I), USE OF (I), OPTIONALLY (I+IV), AS AROMATIC AND/OR PERFUMERY SUBSTANCES, AND COMPOSITIONS OF AROMATIC AND/OR PERFUMERY SUBSTANCES THAT CONTAIN (I), OPTIONALLY (I+IV) L. GIVAUDAN & CIE Société Anonyme (CH) 1982-11-17 EP 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 (2 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-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients F9, RPL39, ECPAS ALDH1A1 44/4885LMNA 568/4885MAPT 815/4885
US-20050136021-A1 Active-releasing cyclic siloxanes F9, RPL39, ALDH16A1 ALDH1A1 57/4885LMNA 882/4885MAPT 1453/4885

“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.