SCHEMBL586305

SCHEMBL586305

c1ccc2c(CCOCCc3cccc4ccccc34)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2D6 P10635 1/20 0.48
MTNR1A P48039 2/20 0.47
NQO2 P16083 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACP3 P15309 1/20 0.46
CDYL Q9Y232 1/20 0.44
AKR1B1 P15121 1/20 0.44
SLC18A2 Q05940 1/20 0.44
DAO P14920 1/20 0.44

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
SCHEMBL11052717 0.91 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL4521520 0.91 MTNR1A (0.45) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL3113301 0.91 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL11051055 0.88 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL14814398 0.88 CNR1 (0.43) CYP1A2CYP2C19CYP2C9MTNR1ATDP1
SCHEMBL4526077 0.86 CNR1 (0.43) CYP1A2CYP2C19CYP2C9MTNR1ATDP1
SCHEMBL3807751 0.86 HTR1B (0.55) CYP1A2CYP2C19CYP2D6NQO2CDYL
SCHEMBL6711225 0.86 MTNR1A (0.43) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL1180264 0.85 TDP1 (0.56) CYP1A2MTNR1ATDP1CDYLAKR1B1
SCHEMBL4511132 0.85 CYP1A2 (0.40) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897055-A Method for reducing abnormal odor 奇华顿股份有限公司 2024-04-16 CN claimed
US-7772009-B2 Room temperature phosphorescence apparatus and methods SCR Research, LLC (US) 2010-08-10 US claimed
WO-2007061574-A2 ROOM TEMPERATURE PHOSPHORESCENCE APPARATUS AND METHODS SCA RESEARCH, LLC (US) 2007-05-31 WO claimed
US-20070117215-A1 Room temperature phosphorescence apparatus and methods POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2007-05-24 US claimed
EP-0142886-B1 COMPOSITIONS CONTAINING ODOR PURIFIED PROTEOLYTIC ENZYMES AND PERFUMES THE PROCTER & GAMBLE COMPANY (US) 1988-03-16 EP claimed
CN-117980454-B Aldehyde composition 三菱瓦斯化学株式会社 2026-05-19 CN disclosed
US-12630783-B2 Muguet type fragrance compounds SYMRISE AG (DE) 2026-05-19 US disclosed
US-12577495-B2 Fragrance mixtures containing 1-(4,4-dimethylcyclohexen-1-yl) ethanon SYMRISE AG (DE) 2026-03-17 US disclosed
US-12545851-B2 Fragrances with note of lily of the valley SYMRISE AG (DE) 2026-02-10 US disclosed
EP-4045490-B1 NEW AROMATIC MONOTHIOKETALS AS FRAGRANCES SYMRISE AG (DE) 2025-12-03 EP disclosed
EP-4624559-A2 ISOMER MIXTURES OF UNSATURATED MACROCYCLIC MUSK COMPOUNDS Symrise AG (DE) 2025-10-01 EP disclosed
CN-120202281-A Substituted 1, 3-dioxolan-4-ones and 1, 3-dioxane-4-ones as perfume ingredients 巴斯夫欧洲公司 2025-06-24 CN disclosed
EP-1215189-A1 Process for the preparation of isolongifolanol HAARMANN & REIMER GMBH (DE) 2002-06-19 EP disclosed
WO-2002024857-A1 MULTI-PHASE SOAP HAARMANN & REIMER GMBH (DE) 2002-03-28 WO disclosed
WO-2002019983-A2 CLEANSING/CONDITIONING AGENTS CONTAINING MATRIX PARTICLES WITH A PERFUME COMPONENT AND A WASHING-ACTIVE COMPONENT HAARMANN & REIMER GMBH (DE) 2002-03-14 WO disclosed
WO-2002012157-A1 NOVEL MACROCYCLIC KETONES HAARMANN & REIMER GMBH (DE) 2002-02-14 WO disclosed
EP-1111029-A2 Perfume compositions containing 4,8-dimethyl-3,7-nonadien-2-one HAARMANN & REIMER GMBH (DE) 2001-06-27 EP disclosed
WO-2001038440-A1 WAX FORMULATIONS CONTAINING ODORIFEROUS SUBSTANCES HAARMANN & REIMER GMBH (DE) 2001-05-31 WO disclosed
WO-2001023373-A2 1,4-DIOXACYCLOALKANE-2-ONE AND 1,4-DIOXACYCLOALKENE-2-ONE HAARMANN & REIMER GMBH (DE) 2001-04-05 WO disclosed
EP-1067126-A2 Tetracyclic acetals HAARMANN & REIMER GMBH (DE) 2001-01-10 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 (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-12577495-B2 Fragrance mixtures containing 1-(4,4-dimethylcyclohexen-1-yl) ethanon ALG3, FAAH, FAAH2 CYP1A2 391/4885CYP2C19 1379/4885CYP2C9 1510/4885
US-12630783-B2 Muguet type fragrance compounds MGAT1, RFT1, CPT1A CYP1A2 139/4885CYP2C19 2339/4885CYP2C9 1433/4885
US-12545851-B2 Fragrances with note of lily of the valley TRPA1, CDY1; CDY1B, TMEM109 CYP1A2 1196/4885CYP2C19 2753/4885CYP2C9 1025/4885

“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.