SCHEMBL2016647

SCHEMBL2016647

CCC=C(C)CCC=C(C)C

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
ALOX15 P16050 3/20 0.65
MEN1 O00255 2/20 0.65
CYP3A4 P08684 2/20 0.65
ALDH1A1 P00352 3/20 0.62
MAPT P10636 2/20 0.62
UGT1A1 P22309 1/20 0.62
SQLE Q14534 7/20 0.60
KDM4E B2RXH2 2/20 0.56
ATM Q13315 1/20 0.52

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
SCHEMBL10777183 1.00 KMT2A (0.71) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL10014861 1.00 KMT2A (0.71) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL5576405 0.97 KMT2A (0.76) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL27099651 0.97 KMT2A (0.76) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL19274201 0.97 KMT2A (0.76) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL23802597 0.83 KMT2A (1.00) KMT2AALOX15MEN1CYP3A4ALDH1A1
Squalene SCHEMBL890053 0.83 KMT2A (1.00) KMT2AALOX15MEN1CYP3A4ALDH1A1
Squalene SCHEMBL21823197 0.83 KMT2A (1.00) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL21639794 0.83 KMT2A (1.00) KMT2AALOX15MEN1CYP3A4ALDH1A1
Squalene SCHEMBL2799805 0.83 KMT2A (1.00) KMT2AALOX15MEN1CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3853199-B1 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AND 2-(6-ISOPROPYL-3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS SYMRISE AG (DE) 2023-10-25 EP disclosed
US-11334695-B2 Antiperspirant and deodorant compositions comprising malodor reduction compositions THE PROCTER & GAMBLE COMPANY (US) 2022-05-17 US disclosed
US-11334694-B2 Personal care compositions comprising malodor reduction compositions THE PROCTER & GAMBLE COMPANY (US) 2022-05-17 US disclosed
US-10876068-B2 2,3,6-trimethylcyclohexanol as a scenting and/or flavoring agent SYMRISE AG (DE) 2020-12-29 US disclosed
CN-104114589-B The manufacturing method of branching conjugated diolefin polymer 住友橡胶工业株式会社 2019-08-06 CN disclosed
CN-109563437-A Discharge the method for unsaturated aldehydes or ketones 高砂香料工业株式会社 2019-04-02 CN disclosed
CN-108473528-A High intensity sweetner 赛诺米克斯公司 2018-08-31 CN disclosed
CN-103709327-B Branch chain conjugated diene copolymers, rubber composition and pneumatic tire 住友橡胶工业株式会社 2018-05-15 CN disclosed
CN-104797550-B Using palladium complex to the hydroformylation or Infectious disease of 1,3 diene derivatives 弗门尼舍有限公司 2017-06-13 CN disclosed
WO-2013028307-A1 DERIVATIVES OF HYDROCARBON TERPENES Amyris, Inc. (US) 2013-02-28 WO disclosed
EP-2513030-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2012-10-24 EP disclosed
WO-2012103156-A1 SURFACTANTS Amyris, Inc. (US) 2012-08-02 WO disclosed
WO-2011073387-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-06-23 WO disclosed
US-7329767-B2 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2008-02-12 US disclosed
US-20050075368-A1 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC.WW 2005-04-07 US disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN 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 (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-10876068-B2 2,3,6-trimethylcyclohexanol as a scenting and/or flavoring agent TAS2R3, TAS2R5, TAS2R13 KMT2A 287/4885ALOX15 1656/4885MEN1 1868/4885
US-20050075368-A1 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof TAS2R41, TAS2R42, TAS2R14 KMT2A 1321/4885ALOX15 413/4885MEN1 3274/4885

“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.