SCHEMBL292576

SCHEMBL292576

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
SCHEMBL111850 1.00 TRPA1 (0.47) TRPA1CYP2D6KMT2ATAAR1ADRA2A
SCHEMBL60688 1.00 TRPA1 (0.47) TRPA1CYP2D6KMT2ATAAR1ADRA2A
SCHEMBL717611 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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP 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
CN-1059517-A Acetamide derivative ICI PLC (GB) 1992-03-18 CN claimed
EP-4558511-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF Firefly Bio, Inc. (US) 2025-05-28 EP disclosed
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed
WO-2024020164-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. (US) 2024-01-25 WO disclosed
WO-2024020164-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. (US) 2024-01-25 WO disclosed
WO-2024010529-A1 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM RACEMIC EPOXIDES BY CASCADE BIOTRANSFORMATION INVOLVING EPOXIDE ISOMERIZATION AND DYNAMIC KINETIC RESOLUTION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2024-01-11 WO disclosed
EP-4289961-A1 METHOD FOR SYNTHESIZING (1R,2R)-AMPP BY USING ENZYME CASCADE REACTION Zhejiang Apeloa Kangyu Pharmaceutical Co. Ltd. (CN) 2023-12-13 EP disclosed
EP-0600020-B1 ASYMMETRIC SYNTHESES UNION CARBIDE CHEM PLASTIC (US) 1996-01-31 EP disclosed
US-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 US disclosed
US-5360938-A Metal ligand complex phosphite hydrogenation catalysts UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1994-11-01 US disclosed
EP-0600020-A1 ASYMMETRIC SYNTHESES. UNION CARBIDE CHEM PLASTIC (US) 1994-06-08 EP disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
CN-1071431-A Asymmetric synthesis UNION CARBIDE CHEM PLASTIC (US) 1993-04-28 CN disclosed
WO-1993003839-A1 ASYMMETRIC SYNTHESES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-04 WO disclosed
CN-1059517-A Acetamide derivative ICI PLC (GB) 1992-03-18 CN 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 (1 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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R TRPA1 3026/4885CYP2D6 2444/4885KMT2A 4239/4885

“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.