SCHEMBL114708

SCHEMBL114708

Cc1cc(C)c(CCC(C)O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.48
NPSR1 Q6W5P4 1/20 0.42
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL29391870 1.00 TYR (0.48) TYRNPSR1PGK1PGK2TRPV1
SCHEMBL27946078 0.86 TYR (0.53) TYRNPSR1TRPV1MAPTALDH1A1
SCHEMBL113499 0.78 TYR (0.53) TYRALDH1A1
SCHEMBL31498230 0.78 TYR (0.53) TYRALDH1A1
SCHEMBL27928021 0.76 TYR (0.47) TYR
SCHEMBL29737291 0.75 NPSR1 (0.50) NPSR1PGK1PGK2MAPTALDH1A1
SCHEMBL3199545 0.75 NPSR1 (0.50) NPSR1PGK1PGK2MAPTALDH1A1
SCHEMBL15319377 0.75 TYR (0.54) TYR
SCHEMBL1716142 0.72 TAAR1 (0.52) TYRALDH1A1
SCHEMBL8129415 0.72 TYR (0.51) TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651037-A1 SECONDARY ALCOHOLS USED AS ANTIMICROBIAL AGENTS Symrise GmbH & Co. KG (DE) 2006-05-03 EP claimed
WO-2005004601-A1 SECONDARY ALCOHOLS USED AS ANTIMICROBIAL AGENTS SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO claimed
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
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
EP-1651037-A1 SECONDARY ALCOHOLS USED AS ANTIMICROBIAL AGENTS Symrise GmbH & Co. KG (DE) 2006-05-03 EP disclosed
WO-2005004601-A1 SECONDARY ALCOHOLS USED AS ANTIMICROBIAL AGENTS SYMRISE GMBH & CO. KG (DE) 2005-01-20 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 (3 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-12110472-B2 Perfuming ingredients with lily of the valley note PIR, ALG3, PNN TYR 900/4885NPSR1 3227/4885PGK1 158/4885
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances ACMSD, ETV1, HTR1D TYR 3675/4885NPSR1 2279/4885PGK1 537/4885
US-20090238787-A1 ODOUR-REDUCING SUBSTANCES ADH1A, ADH1C, ALDH1A1 TYR 677/4885NPSR1 392/4885PGK1 3422/4885

“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.