SCHEMBL345523

SCHEMBL345523

CCC(CO)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.55
TAAR1 Q96RJ0 4/20 0.45
SIGMAR1 Q99720 3/20 0.45
SLC6A2 P23975 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CYP1A2 P05177 1/20 0.43
IDO1 P14902 1/20 0.43
EPHX1 P07099 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC18A2 Q05940 1/20 0.42

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
SCHEMBL2604925 1.00 TRPA1 (0.55) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL5161982 0.86 TRPA1 (0.58) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL3077663 0.86 TRPA1 (0.54) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL13721525 0.86 TRPA1 (0.58) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL8087389 0.86 TRPA1 (0.54) TRPA1TAAR1SIGMAR1SLC6A2MAOA
Ammonia Solution, Strong SCHEMBL28248686 0.84 TRPA1 (0.52) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL14402660 0.83 TRPA1 (0.52) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL345256 0.81 TRPA1 (0.39) TRPA1TAAR1SLC6A4CYP2A6CYP1A2
SCHEMBL12512917 0.81 ESR1 (0.55) TAAR1SLC6A2SLC6A3CYP1A2CYP3A4
Acetic Acid SCHEMBL10433402 0.81 ALPI (0.53) TRPA1CYP1A2TSHRCYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210069071-A1 COSMETIC SOAP GEL STICKS WITH IMPROVED MANUFACTURABILITY HENKEL AG & CO. KGAA (DE) 2021-03-11 US claimed
EP-2453867-A2 COSMETIC AND DERMATOLOGICAL TOPICAL COMPOSITIONS HAVING A HAIR GROWTH-MINIMISING OR HAIR GROWTH-INHIBITING EFFECT Henkel AG & Co. KGaA (DE) 2012-05-23 EP claimed
EP-2349185-A2 MORE EFFECTIVE ANHYDROUS DEODORANT COMPOSITIONS APPLIED AS A SPRAY Henkel AG & Co. KGaA (DE) 2011-08-03 EP claimed
EP-2349184-A2 MORE EFFECTIVE ANHYDROUS DEODORANT COMPOSITIONS APPLIED AS A NON-AEROSOL Henkel AG & Co. KGaA (DE) 2011-08-03 EP claimed
WO-2011006689-A2 COSMETIC AND DERMATOLOGICAL TOPICAL COMPOSITIONS HAVING A HAIR GROWTH-MINIMISING OR HAIR GROWTH-INHIBITING EFFECT HENKEL AG & CO. KGAA (DE) 2011-01-20 WO claimed
WO-2010009976-A2 MORE EFFECTIVE ANHYDROUS DEODORANT COMPOSITIONS APPLIED AS A NON-AEROSOL HENKEL AG & CO. KGAA (DE) 2010-01-28 WO claimed
WO-2010009977-A2 MORE EFFECTIVE ANHYDROUS DEODORANT COMPOSITIONS APPLIED AS A SPRAY HENKEL AG & CO. KGAA (DE) 2010-01-28 WO claimed
EP-0799174-A1 BIOCIDAL ALCOHOLS, THEIR PRODUCTION AND THEIR USE SCHÜLKE & MAYR GMBH (DE) 1997-10-08 EP claimed
WO-1996019428-A1 BIOCIDAL ALCOHOLS, THEIR PRODUCTION AND THEIR USE Schülke & Mayr GmbH (DE) 1996-06-27 WO claimed
US-20250188376-A1 SUSTAINABLE AVIATION FUELS SARTEC CORPORATION 2025-06-12 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
US-11504309-B2 Deo emulsion for aerosols, deodorant comprising the same and use of the deodorant HENKEL AG & CO. KGAA (DE) 2022-11-22 US disclosed
US-11324675-B2 Deo emulsion for aerosols with reduced stain problem, deodorant comprising the same and use of the deodorant HENKEL AG & CO. KGAA (DE) 2022-05-10 US disclosed
EP-0799174-A1 BIOCIDAL ALCOHOLS, THEIR PRODUCTION AND THEIR USE SCHÜLKE & MAYR GMBH (DE) 1997-10-08 EP disclosed
WO-1996019428-A1 BIOCIDAL ALCOHOLS, THEIR PRODUCTION AND THEIR USE Schülke & Mayr GmbH (DE) 1996-06-27 WO disclosed
EP-0032576-B1 PROCESS FOR THE PREPARATION OF P-SUBSTITUTED PHENYL PROPANOLS AND THEIR ESTERS AND OF P-SUBSTITUTED 3-PHENYL-2-METHYL PROPANALS BASF Aktiengesellschaft (DE) 1983-08-10 EP disclosed
EP-0032576-A1 Process for the preparation of p-substituted phenyl propanols and their esters and of p-substituted 3-phenyl-2-methyl propanals BASF Aktiengesellschaft (DE) 1981-07-29 EP disclosed
US-4175544-A X-RAYS OF BODY FOR MEDICAL DIAGNOSIS Lafayette Pharmacal Inc. (US) 1979-11-27 US disclosed
US-4022814-A Iodine containing organic carbonates for use as radiographic agents LAFAYETTE PHARMACAL, INC. (US) 1977-05-10 US 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 (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-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI TRPA1 3961/4885TAAR1 4621/4885SIGMAR1 4323/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 TRPA1 4838/4885TAAR1 4066/4885SIGMAR1 3209/4885

“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.