SCHEMBL304060

SCHEMBL304060

O=C(O)Cc1ccccc1CCl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.61
TDP1 Q9NUW8 1/20 0.53
CXCL8 P10145 6/20 0.50
PTGS1 P23219 2/20 0.47
AKR1B10 O60218 1/20 0.47
UGT1A9 O60656 1/20 0.47
TRPA1 O75762 1/20 0.47
ABCB11 O95342 1/20 0.47
MT-CO2 P00403 1/20 0.47
TTR P02766 1/20 0.47
ALB P02768 1/20 0.47
UGT1A6 P19224 1/20 0.47
UGT1A1 P22309 1/20 0.47
CXCR1 P25024 1/20 0.47
ADRA1A P35348 1/20 0.47
PTGS2 P35354 1/20 0.47
AGTR2 P50052 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL30015117 1.00 AKR1B1 (0.61) AKR1B1TDP1CXCL8PTGS1AKR1B10
SCHEMBL30359 0.88 AKR1B1 (0.76) AKR1B1TDP1CXCL8PTGS1AKR1B10
SCHEMBL29410826 0.88 AKR1B1 (0.76) AKR1B1TDP1CXCL8PTGS1AKR1B10
Hydrogen Sulfide SCHEMBL27426416 0.85 AKR1B1 (0.73) AKR1B1TDP1CXCL8PTGS1AKR1B10
Hydrochloric Acid SCHEMBL9621764 0.85 AKR1B1 (0.73) AKR1B1TDP1CXCL8PTGS1AKR1B10
Hydrochloric Acid SCHEMBL6767821 0.85 AKR1B1 (0.73) AKR1B1TDP1CXCL8PTGS1AKR1B10
SCHEMBL28842838 0.85 AKR1B1 (0.73) AKR1B1TDP1CXCL8PTGS1AKR1B10
Iodide SCHEMBL31305035 0.85 AKR1B1 (0.73) AKR1B1TDP1CXCL8PTGS1AKR1B10
Methyl Alcohol SCHEMBL28299530 0.83 AKR1B1 (0.70) AKR1B1TDP1CXCL8PTGS1AKR1B10
SCHEMBL7255216 0.82 ALDH1A1 (0.41) AKR1B1TDP1CXCL8PTGS1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116606206-A Preparation process of picoxystrobin intermediate methyl o-chloromethyl phenylacetate 河北诚信集团有限公司 2023-08-18 CN claimed
CN-109456295-B Micro-channel method synthesis process of 3-isochromanone 苏州华道生物药业股份有限公司 2022-03-01 CN claimed
CN-112125876-A Synthetic method of 3-isochromone 宁夏思科达生物科技有限公司 2020-12-25 CN claimed
CN-1639113-B Method for producing 2-chloromethylphenyl acetic acid derivatives BASF AG 2011-06-01 CN claimed
EP-1072580-B1 PROCESS FOR PRODUCING CHLOROMETHYLPHENYLACETIC ACID IHARA CHEMICAL IND CO (JP) 2010-12-01 EP claimed
US-20090177005-A1 Method For Producing 2-(chloromethyl)penylacetic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2009-07-09 US claimed
US-7491834-B2 Chemical process SYNGENTA CROP PROTECTION, INC. (US) 2009-02-17 US claimed
US-7488840-B2 Method for producing 2-chloromethylphenyl acetic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2009-02-10 US claimed
US-20060163159-A1 Chemical process SYNGENTA CROP PROTECTION, INC. 2006-07-27 US claimed
EP-1480945-B1 METHOD FOR PRODUCING 2-CHLOROMETHYLPHENYL ACETIC ACID DERIVATIVES BASF AG (DE) 2005-09-14 EP claimed
EP-0906265-B1 CHEMICAL PROCESS SYNGENTA LTD (GB) 2001-08-29 EP claimed
EP-0906304-B1 Process for preparing 3-isochromanone SYNGENTA LTD (GB) 2001-07-18 EP claimed
US-6215006-B1 HYDROGEN CHLORIDE REMOVAL; ESTERIFICATION; DECHLORINATION; DEHYDROHALOGENATION CLARIANT GMBH (DE) 2001-04-10 US claimed
EP-1072580-A1 PROCESS FOR PRODUCING CHLOROMETHYLPHENYLACETIC ACID Ihara Nikkei Chemical Industry Co., Ltd. (JP) 2001-01-31 EP claimed
EP-1054009-A2 Process for preparation of 3-isochromanones by cyclisation of o-chloromethylphenylacetic acids Clariant GmbH (DE) 2000-11-22 EP claimed
US-6008381-A REACTING ORTHO-TOLYLACETIC ACID WITH SULFURYL CHLORIDE IN PRESENCE OF FREE RADICAL INITIATOR AND TREATING THE FORMED 2-CHLOROMETHYLPHENYLACETIC ACID WITH A BASE ZENECA LIMITED (GB) 1999-12-28 US claimed
EP-0906304-A1 PROCESS FOR PREPARING 3-ISOCHROMANONE ZENECA LIMITED (GB) 1999-04-07 EP claimed
EP-0906265-A1 CHEMICAL PROCESS ZENECA LIMITED (GB) 1999-04-07 EP claimed
WO-1997048692-A1 PROCESS FOR PREPARING 3-ISOCHROMANONE ZENECA LIMITED (GB) 1997-12-24 WO claimed
WO-1997048671-A1 CHEMICAL PROCESS ZENECA LIMITED (GB) 1997-12-24 WO 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-20060163159-A1 Chemical process HAO2, OGDH, TST AKR1B1 2477/4885TDP1 4044/4885CXCL8 4340/4885
US-20090177005-A1 Method For Producing 2-(chloromethyl)penylacetic acid derivatives C5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCCA AKR1B1 2080/4885TDP1 4337/4885CXCL8 4823/4885

“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.