SCHEMBL111850

SCHEMBL111850

C[C@H](C=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.47
CYP2D6 P10635 2/20 0.44
KMT2A Q03164 2/20 0.41
TAAR1 Q96RJ0 4/20 0.41
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SRC P12931 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL60688 1.00 TRPA1 (0.47) TRPA1CYP2D6KMT2ATAAR1ADRA2A
SCHEMBL717611 1.00 TRPA1 (0.47) TRPA1CYP2D6KMT2ATAAR1ADRA2A
SCHEMBL292576 1.00 TRPA1 (0.47) TRPA1CYP2D6KMT2ATAAR1ADRA2A
SCHEMBL7268271 0.97 TRPA1 (0.45) TRPA1CYP2D6KMT2ATAAR1ADRA2A
Methane SCHEMBL17748810 0.97 TRPA1 (0.45) TRPA1CYP2D6KMT2ATAAR1ADRA2A
Fluoride SCHEMBL28047949 0.97 TRPA1 (0.45) TRPA1CYP2D6KMT2ATAAR1ADRA2A
Dimethylamine SCHEMBL27923078 0.93 TRPA1 (0.42) TRPA1CYP2D6KMT2ATAAR1ADRA2C
Alcohol SCHEMBL8614635 0.89 TRPA1 (0.55) TRPA1CYP2D6KMT2ATAAR1LMNA
Ethylamine SCHEMBL29180064 0.89 TAAR1 (0.48) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL7648681 0.89 CYP2D6 (0.52) TRPA1CYP2D6KMT2ALMNAHIF1A

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 1872 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4711010-A2 PRO-PERFUME COMPOSITIONS Firmenich SA (CH) 2026-03-18 EP claimed
US-12234384-B2 Adhesion-improving composition for textile material and associated reinforcing textile material PORCHER INDUSTRIES (FR) 2025-02-25 US claimed
US-20240173230-A1 FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2024-05-30 US claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
EP-4319715-A1 FRAGRANCE COMPOSITION Givaudan SA (CH) 2024-02-14 EP claimed
EP-4262766-A1 DISINFECTING COMPOSITION COMPRISING A MIXTURE OF PHENOL, ALDEHYDE AND ALCOHOL, AND USE THEREOF FOR DISINFECTING A SURFACE OR IN COSMETICS FOR DISINFECTING THE SKIN, IN PARTICULAR THE HANDS Robertet S.A. (FR) 2023-10-25 EP claimed
CN-115959981-A Production method and production system of hydratropic aldehyde/hydratropic alcohol 中国石油化工股份有限公司 2023-04-14 CN claimed
WO-2022214636-A1 FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2022-10-13 WO claimed
US-20220183937-A1 METHOD FOR IMPROVING THE PERFORMANCE OF A FRAGRANCE OR A FRAGRANCE MIXTURE SYMRISE AG (DE) 2022-06-16 US claimed
EP-3990596-A2 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2022-05-04 EP claimed
WO-2007061823-A1 FRAGRANCED POLYMER WITH MALODOR COUNTERACTANT ROBERTET FRAGRANCES, INC. (US) 2007-05-31 WO claimed
EP-1409558-B1 METHOD FOR POLYMERISING VINYL MONOMERS AND/OR OLIGOMERS COMPRISING AT LEAST A VINYL RADICAL GTI PROCESS (FR) 2006-09-13 EP claimed
WO-2002098966-A2 AROMATIC PRINCIPLES FOR IMPROVING THE STABILITY IN STORAGE AND/OR FOR IMPROVING THE SOLUBILITY OF POLYVINYL ALCOHOLS AND/OR POLYVINYL ALCOHOLS WITH BONDED CELLULOSE DROM FRAGRANCES INTERNATIONAL KG (DE) 2002-12-12 WO claimed
WO-2000049120-A1 COMPOSITION FOR FRESHENING AND DEODORISING TEXTILE MATERIALS RECKITT BENCKISER INC. (US) 2000-08-24 WO claimed
US-5795566-A Deodorant compositions containing at least two aldehydes and the deodorant products containing them ROBERTET S.A. (FR) 1998-08-18 US claimed
US-5726345-A Process for perfuming textiles FIRMENICH S.A. (CH) 1998-03-10 US claimed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US claimed
US-5196601-A Process for producing alcohol or amine KAO CORPORATION (JP) 1993-03-23 US claimed
CN-1059517-A Acetamide derivative ICI PLC (GB) 1992-03-18 CN 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-20220183937-A1 METHOD FOR IMPROVING THE PERFORMANCE OF A FRAGRANCE OR A FRAGRANCE MIXTURE CUTA, DEGS1, DHCR24 TRPA1 18/4885CYP2D6 1558/4885KMT2A 3977/4885
US-20240173230-A1 FRAGRANCE COMPOSITION FABP2, FABP5, FAAH2 TRPA1 4/4885CYP2D6 522/4885KMT2A 1473/4885

“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.