SCHEMBL194646

SCHEMBL194646

NCC(O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
TRPA1 O75762 2/20 0.48
SRR Q9GZT4 2/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48

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
SCHEMBL5678777 1.00 EPHX1 (0.52) EPHX1TRPA1SRRSLC1A3SLC1A2
SCHEMBL7472546 1.00 EPHX1 (0.52) EPHX1TRPA1SRRSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL7814124 0.98 SRR (0.50) EPHX1TRPA1SRRSLC1A3SLC1A2
Sulfuric Acid SCHEMBL5465230 0.90 TRPA1 (0.46) EPHX1TRPA1SRRSLC1A3SLC1A2
SCHEMBL1833635 0.85 TRPA1 (0.55) EPHX1TRPA1SRRALPIPKM
SCHEMBL11387865 0.82 SLC6A4 (0.59) EPHX1TRPA1SRRSLC1A3SLC1A2
SCHEMBL25152953 0.82 MAOB (0.60) PTGS1SLC6A2MAOASLC6A3CYP1A2
SCHEMBL29162424 0.82 MAOB (0.60) PTGS1SLC6A2MAOASLC6A3CYP1A2
Ammonia Solution, Strong SCHEMBL29021310 0.82 TRPA1 (0.53) EPHX1TRPA1SRRALPIPKM
SCHEMBL8357017 0.82 EPHX1 (0.48) EPHX1TRPA1SRRALPIPKM

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 1271 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119390592-A Method for catalytic synthesis of chiral amino alcohol compound and pyrazine compound by chemical-enzyme cascade method 南京工业大学 2025-02-07 CN claimed
EP-4380942-A1 NOVEL APPLICATIONS FOR OXAZABOROLIDINES AND NEW METHODS OF MANUFACTURE THEREOF Pathway Intermediates Limited (GB) 2024-06-12 EP claimed
CN-117736399-A Bio-based polyurethane foam based on lignin oligomer and vegetable oil and preparation method thereof 中国林业科学研究院林产化学工业研究所 2024-03-22 CN claimed
CN-115999335-A Flue gas desulfurizing agent and preparation method thereof 河北冀隅智能科技有限公司 2023-04-25 CN claimed
WO-2023011857-A1 NOVEL APPLICATIONS FOR OXAZABOROLIDINES AND NEW METHODS OF MANUFACTURE THEREOF PATHWAY INTERMEDIATES LIMITED (GB) 2023-02-09 WO claimed
WO-2022257197-A1 APPLICATION OF AMINE COMPOUND IN REMOVING ORGANIC SULFIDES 华东理工大学 2022-12-15 WO claimed
CN-114213355-A Production process of aprepitant key intermediate 苏州诚和医药化学有限公司 2022-03-22 CN claimed
CN-113289458-A Application of amine compound in removing organic sulfide 华东理工大学 2021-08-24 CN claimed
EP-2508591-B1 WATER-SOLUBLE METALWORKING OIL AGENT AND USAGE THEREOF IDEMITSU KOSAN CO (JP) 2020-09-09 EP claimed
EP-3421794-B1 REFRIGERATION APPARATUS DAIKIN IND LTD (JP) 2020-08-05 EP claimed
US-8293693-B2 Conductive lubricant composition IDEMITSU KOSAN CO., LTD. (JP) 2012-10-23 US claimed
US-20050085668-A1 Diols formed by ring-opening of epoxies THE GOVERNMENT OF THE UNITED STATES, AS RESPRESENTED BY THE SECRETARY OF THE NAVY 2005-04-21 US claimed
WO-2004067493-A1 DIOLS FORMED BY RING-OPENING OF EPOXIES VERBORGT JOZEF (US) 2004-08-12 WO claimed
US-20040143086-A1 Diols formed by ring-opening of epoxies THE GOVERNMENT OF THE UNITED STATES, AS RESPRESENTED BY THE SECRETARY OF THE NAVY 2004-07-22 US claimed
EP-0914332-B1 ISOQUINOLINES USEFUL AS ANALGESICS ASTRAZENECA AB (SE) 2002-05-08 EP claimed
WO-2001002355-A2 INDOLE SYNTHESIS AXYS PHARMACEUTICALS, INC. (US) 2001-01-11 WO claimed
EP-0883610-B1 PROCESS FOR PREPARING 1,4,7,10-TETRAAZACYCLODODECANE AND ITS DERIVATIVES SCHERING AG (DE) 2000-07-12 EP claimed
WO-1998050421-A1 ANALGESIC PEPTIDOMIMETIC COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1998-11-12 WO claimed
US-5744616-A CYCLOTETRAMERIZATION OF A BENZYLAZIRIDINE DERIVATIVE SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-28 US claimed
US-4522984-A WITH E-CAPROLACTONE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-11 US 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 (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-20050085668-A1 Diols formed by ring-opening of epoxies EPHX2, OXER1, EPHX1 EPHX1 3/4885TRPA1 2929/4885SRR 1901/4885

“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.