SCHEMBL60429

SCHEMBL60429

C[C@H](CO)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.68
TAAR1 Q96RJ0 3/20 0.58
AOC3 Q16853 2/20 0.52
RIPK1 Q13546 1/20 0.50
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ADRA2A P08913 1/20 0.44
ADRA2C P18825 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
SCHEMBL1260 1.00 TRPA1 (0.68) TRPA1TAAR1AOC3RIPK1KDM4E
SCHEMBL61000 1.00 TRPA1 (0.68) TRPA1TAAR1AOC3RIPK1KDM4E
SCHEMBL8976575 0.97 TRPA1 (0.65) TRPA1TAAR1AOC3RIPK1KDM4E
SCHEMBL8939138 0.97 TRPA1 (0.65) TRPA1TAAR1AOC3RIPK1KDM4E
Hydrochloric Acid SCHEMBL28757862 0.97 TRPA1 (0.65) TRPA1TAAR1AOC3RIPK1KDM4E
Methane SCHEMBL27517092 0.97 TRPA1 (0.65) TRPA1TAAR1AOC3RIPK1KDM4E
Ammonia Solution, Strong SCHEMBL28122152 0.97 TRPA1 (0.65) TRPA1TAAR1AOC3RIPK1KDM4E
Methylamine SCHEMBL10944526 0.93 TRPA1 (0.61) TRPA1TAAR1AOC3RIPK1KDM4E
Acetic Acid SCHEMBL6330530 0.91 TRPA1 (0.59) TRPA1TAAR1AOC3RIPK1
SCHEMBL28632394 0.91 TRPA1 (0.59) TRPA1TAAR1AOC3RIPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270748-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2024-08-15 US claimed
JP-62016435-A None JP disclosed
JP-1151538-A None JP disclosed
CN-106119113-B Organisms for the production of 1, 3-butanediol 基因组股份公司 2026-05-12 CN disclosed
US-20250361531-A1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS AGAIN BIO APS (DK) 2025-11-27 US disclosed
EP-4558511-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF Firefly Bio, Inc. (US) 2025-05-28 EP disclosed
US-12312627-B2 Microorganisms and methods for production of 4-hydroxybutyrate, 1,4-butanediol and related compounds GENOMATICA, INC. (US) 2025-05-27 US disclosed
US-20240409550-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2024-12-12 US disclosed
EP-4464317-A2 COMPOUNDS AND COMPOSITIONS AND USES THEREOF Sumitomo Pharma America, Inc. (US) 2024-11-20 EP disclosed
EP-3494119-B1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUMITOMO PHARMA AMERICA INC (US) 2024-09-04 EP disclosed
US-6462198-B1 USED IN THE CONTROL OR PREVENTION OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES, HEAD INJURIES, HYPOXIA, HOFFMANN-LA ROCHE INC. 2002-10-08 US disclosed
US-20020091150-A1 Carbamic acid derivatives BLEICHER KONRAD (DE) 2002-07-11 US disclosed
EP-1171423-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP disclosed
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
WO-2000063166-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 WO disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
CN-1148381-A Benzene-fused heterocyclic derivative and use thereof TORAY INDUSTRIES (JP) 1997-04-23 CN disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed
JP-H01151538-A OPTICALLY ACTIVE 4-ALKYLBENZOIC ACID ESTER COMPOUND AND LIQUID CRYSTAL COMPOSITION KANTO CHEM CO INC 1989-06-14 JP disclosed
JP-S6216435-A STEROSELECTIVE REARRANGEMENT AND REDUCTION OF ALPHA-HALOKETONE TOYO SUTOUFUAA CHEM:KK 1987-01-24 JP 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 (4 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-20240409550-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF CHAT, ACHE, MAOB TRPA1 2075/4885TAAR1 893/4885AOC3 847/4885
US-20240270748-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 TRPA1 4238/4885TAAR1 3328/4885AOC3 4305/4885
US-20020091150-A1 Carbamic acid derivatives CHRM1, CHRNA2, CHRM2 TRPA1 3127/4885TAAR1 1117/4885AOC3 3262/4885
US-20250361531-A1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS HSD17B10, HSD17B12, HADHB TRPA1 3196/4885TAAR1 2366/4885AOC3 1178/4885

“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.