SCHEMBL114928

SCHEMBL114928

CC(O)C(C)(C)Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.71
SLC6A2 P23975 3/20 0.50
TAAR1 Q96RJ0 3/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 3/20 0.47
CYP2D6 P10635 1/20 0.47
CYP3A4 P08684 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPK1 P28482 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL22614877 0.86 TRPA1 (0.70) TRPA1SLC6A2TAAR1CYP1A2CYP2C9
SCHEMBL9427268 0.82 TRPA1 (0.64) TRPA1SLC6A2TAAR1CYP1A2CYP2C9
Ammonia Solution, Strong SCHEMBL28248128 0.80 TRPA1 (0.62) TRPA1SLC6A2TAAR1CYP1A2CYP2C9
SCHEMBL13765633 0.79 TRPA1 (0.61) TRPA1SLC6A2TAAR1CYP1A2CYP2C9
SCHEMBL5447904 0.79 TRPA1 (0.47) TRPA1TAAR1HPGDHTT
SCHEMBL15372893 0.79 SLC6A2 (0.57) TRPA1SLC6A2TAAR1CYP1A2CYP2C9
SCHEMBL21306681 0.79 TRPA1 (0.71) TRPA1SLC6A2TAAR1LMNACYP2D6
SCHEMBL2965433 0.79 TRPA1 (0.47) TRPA1TAAR1CYP2D6ALDH1A1TSHR
SCHEMBL31118229 0.78 TRPA1 (0.60) TRPA1SLC6A2TAAR1CYP1A2LMNA
SCHEMBL11857650 0.78 TRPA1 (0.59) TRPA1SLC6A2TAAR1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441953-B2 Isomer mixtures of unsaturated macrocyclic musk compounds SYMRISE AG (DE) 2025-10-14 US disclosed
EP-4624559-A2 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS Symrise AG (DE) 2025-10-01 EP disclosed
EP-3898910-B1 ALICYCLIC MUSK FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2025-09-03 EP disclosed
EP-3880777-B1 PERFUMING INGREDIENTS WITH LILY OF THE VALLEY NOTE SYMRISE AG (DE) 2025-06-25 EP disclosed
EP-4006130-B1 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS SYMRISE AG (DE) 2025-04-09 EP disclosed
EP-4519244-A1 NOVEL FRAGRANCE COMPOUNDS Symrise AG (DE) 2025-03-12 EP disclosed
US-12110472-B2 Perfuming ingredients with lily of the valley note SYMRISE AG (DE) 2024-10-08 US disclosed
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances SYMRISE AG (DE) 2024-07-09 US disclosed
EP-2966158-B2 Isomers mixtures of unsaturated macrocyclic musk compounds SYMRISE AG (DE) 2024-03-13 EP disclosed
WO-2023213381-A1 NOVEL FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2023-11-09 WO disclosed
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2012-05-03 US disclosed
EP-2424829-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR Symrise AG (DE) 2012-03-07 EP disclosed
US-20110129432-A1 L-MENTHYL-N-(2-HYDROXYPHENYL)CARBAMATE SYMRISE AG (DE) 2011-06-02 US disclosed
EP-2307357-A1 L-MENTHYL-N-(2-HYDROXYPHENYL)CARBAMATE Symrise AG (DE) 2011-04-13 EP disclosed
EP-2133102-A1 Odor reducers Symrise GmbH & Co. KG (DE) 2009-12-16 EP disclosed
WO-2009144179-A1 L-MENTHYL-N-(2-HYDROXYPHENYL)CARBAMATE SYMRISE GMBH & CO. KG (DE) 2009-12-03 WO disclosed
US-20090238787-A1 ODOUR-REDUCING SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2009-09-24 US disclosed
WO-2009101216-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-08-20 WO disclosed
US-20090123392-A1 FRAGRANCE ACCORDS TO COMBAT THE PERCEPTION OF BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-05-14 US disclosed
EP-2014273-A1 Use of methyl methyl ether and another ether to provide a feeling of cleanliness and purity Symrise GmbH & Co. KG (DE) 2009-01-14 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 (5 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-20110129432-A1 L-MENTHYL-N-(2-HYDROXYPHENYL)CARBAMATE CRAT, LANCL1, ACAT1 TRPA1 343/4885SLC6A2 3860/4885TAAR1 3393/4885
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR ALOX12, ALOX15, ALOX15B TRPA1 86/4885SLC6A2 4791/4885TAAR1 91/4885
US-12110472-B2 Perfuming ingredients with lily of the valley note PIR, ALG3, PNN TRPA1 133/4885SLC6A2 4004/4885TAAR1 1655/4885
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances ACMSD, ETV1, HTR1D TRPA1 42/4885SLC6A2 4862/4885TAAR1 883/4885
US-20090238787-A1 ODOUR-REDUCING SUBSTANCES ADH1A, ADH1C, ALDH1A1 TRPA1 809/4885SLC6A2 2436/4885TAAR1 10/4885

“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.