SCHEMBL307016

SCHEMBL307016

CC(C(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.67
AKR1C2 P52895 4/20 0.67
ACP3 P15309 1/20 0.55
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TP53 P04637 1/20 0.53
PTGS1 P23219 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
PTGS2 P35354 2/20 0.53
ALDH1A1 P00352 2/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL3992888 1.00 AKR1C3 (0.67) AKR1C3AKR1C2ACP3HPGDL3MBTL1
SCHEMBL8582041 1.00 AKR1C3 (0.67) AKR1C3AKR1C2ACP3HPGDL3MBTL1
SCHEMBL27474822 0.88 L3MBTL1 (0.55) AKR1C3AKR1C2ACP3HPGDL3MBTL1
SCHEMBL7733013 0.85 ACP3 (0.54) AKR1C3AKR1C2ACP3HPGDL3MBTL1
SCHEMBL10763187 0.85 TSHR (0.54) AKR1C3AKR1C2ACP3HPGDL3MBTL1
SCHEMBL2407166 0.85 ALDH1A1 (0.54) AKR1C3AKR1C2ACP3HPGDL3MBTL1
SCHEMBL30428765 0.85 TSHR (0.54) AKR1C3AKR1C2ACP3HPGDL3MBTL1
Hydrochloric Acid SCHEMBL27290579 0.84 L3MBTL1 (0.55) AKR1C3AKR1C2ACP3HPGDL3MBTL1
SCHEMBL5861774 0.83 ACP3 (0.58) ACP3L3MBTL1TP53SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL10759838 0.83 L3MBTL1 (0.53) AKR1C3AKR1C2ACP3HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810001-B Synthesis method of ropinirole hydrochloride intermediate 2-methyl-3-nitrophenylacetic acid 深圳市第二人民医院 2022-04-01 CN claimed
CN-109810001-A The synthetic method of ropinirole hydrochloride intermediate 2- methyl-3-nitrophenylacetic acid 深圳市第二人民医院 2019-05-28 CN claimed
CN-108126656-A For the modified activated carbon absorbent of benzene in Adsorption wastewater from chemical industry 北京益清源环保科技有限公司 2018-06-08 CN claimed
CN-102070433-B Preparation method for aryl acetic acid derivative GUILIN NORMAL COLLEGE 2013-03-27 CN claimed
EP-1282680-A1 COMPOSITIONS COMPRISING CYCLODEXTRIN THE PROCTER & GAMBLE COMPANY (US) 2003-02-12 EP claimed
US-6503413-B2 Polyalkylene polysiloxane, buffering agent, aqueous carrier THE PROCTER & GAMBLE COMPANY 2003-01-07 US claimed
EP-1255806-A1 STABLE, AQUEOUS COMPOSITIONS FOR TREATING SURFACES, ESPECIALLY FABRICS THE PROCTER & GAMBLE COMPANY (US) 2002-11-13 EP claimed
US-20020011584-A1 Stable, aqueous compositions for treating surfaces, especially fabrics THE PROCTOR & GAMBLE COMPANY 2002-01-31 US claimed
US-20020010154-A1 Compositions comprising cyclodextrin THE PROCTER & GAMBLE COMPANY 2002-01-24 US claimed
WO-2001088076-A1 COMPOSITIONS COMPRISING CYCLODEXTRIN THE PROCTER & GAMBLE COMPANY (US) 2001-11-22 WO claimed
WO-2001060961-A1 STABLE, AQUEOUS COMPOSITIONS FOR TREATING SURFACES, ESPECIALLY FABRICS THE PROCTER & GAMBLE COMPANY (US) 2001-08-23 WO claimed
EP-0077662-B1 PREPARATION OF NITROARYLACETIC ACID ESTERS AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1985-10-02 EP claimed
US-4499026-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-02-12 US claimed
US-4476315-A NITROARYLACETIC ACID ESTERS FROM NITROAROMATIC COMPOUNDS ETHYL CORPORATION (US) 1984-10-09 US claimed
EP-0077662-A1 Preparation of nitroarylacetic acid esters and derivatives thereof ETHYL CORPORATION (US) 1983-04-27 EP claimed
CN-116023321-B STING inhibitor prodrug and medical application thereof 中国药科大学 2024-11-29 CN disclosed
CN-110621660-B Purification method of ropinirole hydrochloride 浙江华海立诚药业有限公司 2022-06-28 CN disclosed
US-4476315-A NITROARYLACETIC ACID ESTERS FROM NITROAROMATIC COMPOUNDS ETHYL CORPORATION (US) 1984-10-09 US disclosed
EP-0113964-A1 4-Aminoalkyl-2(3H)-indolones SMITHKLINE BECKMAN CORPORATION (US) 1984-07-25 EP disclosed
EP-0077662-A1 Preparation of nitroarylacetic acid esters and derivatives thereof ETHYL CORPORATION (US) 1983-04-27 EP 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-20020010154-A1 Compositions comprising cyclodextrin FFAR4, FRG1, FGB AKR1C3 601/4885AKR1C2 519/4885ACP3 1605/4885

“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.