SCHEMBL585673

SCHEMBL585673

CC(C)=CCCC(C)CCCC(C)C=O.CCCCCCCCC/C=C/C=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 3/20 0.39
FASN P49327 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
FAAH O00519 4/20 0.34
PPARG P37231 2/20 0.34
USP2 O75604 1/20 0.34
GPR132 Q9UNW8 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL585675 1.00 ALDH1A1 (0.42) ALDH1A1TSHRALOX15FASNCNR1
SCHEMBL5135290 0.86 TRPV1 (0.40) ALDH1A1TSHRALOX15FAAHPPARG
SCHEMBL5135286 0.86 TRPV1 (0.40) ALDH1A1TSHRALOX15FAAHPPARG
SCHEMBL28249306 0.85 TSHR (0.42) ALDH1A1TSHRALOX15USP2
SCHEMBL585674 0.84 PTPN1 (0.38) ALDH1A1TSHRALOX15FASNFAAH
SCHEMBL229925 0.82 ALOX15 (0.55) ALDH1A1TSHRALOX15USP2
Citronellal SCHEMBL21517815 0.78 ALOX15 (0.40) ALDH1A1TSHRALOX15FAAHUSP2
Citronellal SCHEMBL28074675 0.77 ALDH1A1 (0.55) ALDH1A1TSHRALOX15FASNCNR1
SCHEMBL1701670 0.76 ALDH1A1 (0.55) ALDH1A1TSHRFASNCNR1CNR2
SCHEMBL1701177 0.76 ALDH1A1 (0.55) ALDH1A1TSHRFASNCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3884018-A1 JASMOL Symrise AG (DE) 2021-09-29 EP claimed
US-20240141254-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-05-02 US disclosed
EP-2966158-B2 Isomers mixtures of unsaturated macrocyclic musk compounds SYMRISE AG (DE) 2024-03-13 EP disclosed
EP-4330361-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE Symrise AG (DE) 2024-03-06 EP disclosed
EP-4305135-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE Symrise AG (DE) 2024-01-17 EP disclosed
EP-4282853-A1 PROCESS FOR THE PREPARATION OF MESACONIC ACID ESTERS Symrise AG (DE) 2023-11-29 EP disclosed
EP-4269084-A1 USE OF A MULTILAYER PAPER DIFFUSION ROD TO DELIVER VOLATILE SUBSTANCES INTO THE ENVIRONMENT AND THE DEVICE ITSELF Mantz GmbH (DE) 2023-11-01 EP disclosed
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
EP-2662434-B2 Use of specific compounds for enhancing odours SYMRISE AG (DE) 2023-08-16 EP disclosed
EP-4122503-A1 DEVICE FOR DISPENSING VOLATILE SUBSTANCES INTO THE ENVIRONMENT Mantz GmbH (DE) 2023-01-25 EP disclosed
WO-2007065755-A1 2-METHOXYMETHYLPHENOL AS PERFUME AND AROMA SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2007-06-14 WO disclosed
WO-2007060048-A1 2-METHYL-3-(5-METHYL-2-FURYL)BUTANAL SYMRISE GMBH & CO. KG (DE) 2007-05-31 WO disclosed
EP-1761618-A1 USE OF A MIXTURE OF CIS- AND TRANS-3-METHYL-G-DECALACTONE AND COMPOSITIONS OF ODORIFEROUS SUBSTANCES AND PERFUMED ARTICLES COMPRISING SAID MIXTURE Symrise GmbH & Co. KG (DE) 2007-03-14 EP disclosed
EP-1670420-A1 USE OF 3-CYCLOHEXENYL-1-PROPANOL AS A PERFUME Symrise GmbH & Co. KG (DE) 2006-06-21 EP disclosed
EP-1631247-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE Symrise GmbH & Co. KG (DE) 2006-03-08 EP disclosed
WO-2005123889-A1 USE OF A MIXTURE OF CIS- AND TRANS-3-METHYL-G-DECALACTONE AND COMPOSITIONS OF ODORIFEROUS SUBSTANCES AND PERFUMED ARTICLES COMPRISING SAID MIXTURE SYMRISE GMBH & CO. KG (DE) 2005-12-29 WO disclosed
EP-1599434-A1 4-CYCLOHEXYL-2-BUTANOL AS AN ODIFEROUS SUBSTANCE Symrise GmbH & Co. KG (DE) 2005-11-30 EP disclosed
WO-2005030156-A1 USE OF 3-CYCLOHEXENYL-1-PROPANOL AS A PERFUME SYMRISE GMBH & CO. KG (DE) 2005-04-07 WO disclosed
WO-2004105724-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2004-12-09 WO disclosed
WO-2004076393-A1 4-CYCLOHEXYL-2-BUTANOL AS AN ODIFEROUS SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2004-09-10 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-20240141254-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE OR10J3, OR51E2, SRD5A2 ALDH1A1 88/4885TSHR 4035/4885ALOX15 608/4885

“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.