SCHEMBL112485

SCHEMBL112485

CC(=O)OC1CC2CC1C1C=CCC21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 2/20 0.40
CHRM2 P08172 5/20 0.33
CHRM1 P11229 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CHRM4 P08173 2/20 0.31
CHRM3 P20309 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13714112 1.00 POLB (0.41) POLBGAACHRM2CHRM1KMT2A
SCHEMBL17836876 0.87 CHRM2 (0.33) POLBGAACHRM2CHRM1KMT2A
SCHEMBL18604001 0.87 CHRM2 (0.33) POLBGAACHRM2CHRM1KMT2A
SCHEMBL114981 0.87 CHRM2 (0.33) POLBGAACHRM2CHRM1KMT2A
SCHEMBL15347376 0.85 POLB (0.38) POLBGAA
SCHEMBL1627945 0.83 POLB (0.38) POLBGAA
SCHEMBL1427774 0.83 POLB (0.41) POLBGAACHRM2CHRM1KMT2A
SCHEMBL29564894 0.83 POLB (0.38) POLBGAA
SCHEMBL29487239 0.83 POLB (0.38) POLBGAA
SCHEMBL30879543 0.83 POLB (0.38) POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4608360-A1 ANTI-DANDRUFF COMPOSITIONS Firmenich SA (CH) 2025-09-03 EP claimed
US-12338225-B2 2,2,6-trimethyl-4,5-dihydro-3H-oxepine as aroma ingredient BASF SE (DE) 2025-06-24 US claimed
US-20250092331-A1 COMPOSITIONS COMPRISING 4-ISOPROPYL-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-OL OR ESTERS OR ETHERS THEREOF AND THEIR USE AS AROMA CHEMICALS BASF SE (DE) 2025-03-20 US claimed
EP-4519404-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN Firmenich SA (CH) 2025-03-12 EP claimed
CN-119403908-A Method for enhancing psychological performance and composition for use in the method 弗门尼舍有限公司 2025-02-07 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-20240240106-A1 1,4-BUTANEDIOL MONO- OR DIESTERS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2024-07-18 US claimed
WO-2024133645-A1 ANTI-DANDRUFF COMPOSITIONS FIRMENICH SA (CH) 2024-06-27 WO claimed
WO-2024115594-A1 ACETIC ACID FOR INTENSIFYING OR MODIFYING THE AROMA OF AROMA CHEMICALS BASF SE (DE) 2024-06-06 WO claimed
WO-2024100254-A1 DIMETHYL ACRYLIC ACID-BASED COMPOUNDS AS AROMA INGREDIENTS BASF SE (DE) 2024-05-16 WO claimed
WO-2005103214-A2 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2005-11-03 WO claimed
EP-1481049-A1 MALODOR COUNTERACTING COMPOSITION Symrise GmbH & Co. KG (DE) 2004-12-01 EP claimed
US-6737395-B1 APPLYING PERFUMES TO SKIN CAPABLE OF INACTIVATING CORYNE-BACTERIA QUEST INTERNATIONAL B.V. (NL) 2004-05-18 US claimed
US-6727221-B1 APPLYING TO HUMAN SKIN A PERFUME COMPOSITION COMPRISING AT LEAST 50% BY WEIGHT OF PERFUME COMPONENTS HAVING A MINIMUM INHIBITORY CONCENTRATION (MIC) FOR CORYNEFORM BACTERIA OF GREATER THAN 0.1% QUEST INTERNATIONAL B.V. (NL) 2004-04-27 US claimed
EP-1094784-B1 PERFUME COMPOSITION QUEST INT (NL) 2004-02-11 EP claimed
WO-2003070871-A1 MALODOR COUNTERACTING COMPOSITION SYMRISE GMBH & CO. KG (DE) 2003-08-28 WO claimed
EP-1094784-A1 PERFUME COMPOSITION QUEST INTERNATIONAL B.V. (NL) 2001-05-02 EP claimed
EP-1093355-A1 METHOD OF REDUCING OR PREVENTING MALODOUR QUEST INTERNATIONAL B.V. (NL) 2001-04-25 EP claimed
WO-2000001352-A1 PERFUME COMPOSITION QUEST INTERNATIONAL B.V. (NL) 2000-01-13 WO claimed
WO-2000001356-A1 METHOD OF REDUCING OR PREVENTING MALODOUR QUEST INTERNATIONAL B.V. (NL) 2000-01-13 WO 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-12338225-B2 2,2,6-trimethyl-4,5-dihydro-3H-oxepine as aroma ingredient DRD4, HTR5A, HTR4 POLB 1596/4885GAA 4197/4885CHRM2 136/4885
US-20250092331-A1 COMPOSITIONS COMPRISING 4-ISOPROPYL-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-OL OR ESTERS OR ETHERS THEREOF AND THEIR USE AS AROMA CHEMICALS OXER1, MSMO1, IPO7 POLB 1457/4885GAA 4652/4885CHRM2 1746/4885

“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.