SCHEMBL7573

SCHEMBL7573

O=C(O)CCc1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.59
FFAR4 Q5NUL3 2/20 0.59
KEAP1 Q14145 1/20 0.54
TAAR1 Q96RJ0 3/20 0.52
GPR52 Q9Y2T5 1/20 0.51
PTGER1 P34995 1/20 0.50
PTGER4 P35408 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGER2 P43116 1/20 0.50
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
MAOB P27338 1/20 0.46
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL30641923 1.00 FFAR1 (0.59) FFAR1FFAR4KEAP1TAAR1GPR52
SCHEMBL30913085 0.88 HDAC3 (0.57) FFAR1FFAR4KEAP1TAAR1GPR52
SCHEMBL4062337 0.88 HDAC3 (0.57) FFAR1FFAR4KEAP1TAAR1GPR52
SCHEMBL14120567 0.86 MAPT (0.56) FFAR1FFAR4TAAR1GPR52HDAC3
SCHEMBL16669737 0.85 TAAR1 (0.54) FFAR1FFAR4TAAR1GPR52MAOB
SCHEMBL8713117 0.85 MAPT (0.59) FFAR1FFAR4GPR52HDAC3MAPK1
SCHEMBL59198 0.84 KEAP1 (0.65) FFAR1FFAR4KEAP1PTGER1PTGER4
SCHEMBL4641301 0.84 FFAR1 (0.49) FFAR1FFAR4KEAP1PTGER1PTGER4
SCHEMBL27685442 0.83 TAAR1 (0.52) FFAR1FFAR4TAAR1GPR52MAOB
SCHEMBL23395750 0.82 GPR52 (0.55) TAAR1GPR52HDAC3MAPK1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024590-A Bio-based lubricating oil base oil 杨初 2021-06-25 CN claimed
CN-109725090-B Gas chromatography-mass spectrometry combined method for measuring four trace phenylpropionic acids in water source water 丁立平 2021-05-18 CN claimed
CN-109725090-A The gas chromatography-mass spectrometry of four kinds of trace benzenpropanoic acids in a kind of measurement source water 丁立平 2019-05-07 CN claimed
CN-104418700-A Synthetic method for 7-bromoindene WUXI YUTIAN BIOLOG PHARMACEUTICAL CO LTD 2015-03-18 CN claimed
CN-102211994-B Industrialized synthesis method of 3-(2-bromophenyl)propionic acid WUXI APPTEC CO LTD 2014-09-17 CN claimed
CN-103119208-A A biocidal polyolefin yarn with 3-12 filaments VESTERGAARD FRANDSEN SA 2013-05-22 CN claimed
WO-2011124228-A1 A BIOCIDAL POLYOLEFIN YARN WITH 3-12 FILAMENTS VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
WO-2011124227-A1 BIOCIDAL ACID-ADJUSTED POLYMER WITH POLYPROPYLENE VESTERGAARD FRANDSEN SA (CH) 2011-10-13 WO claimed
CN-102211994-A Industrialized synthesis method of 3-(2-bromophenyl)propionic acid WUXI APPTEC CO LTD 2011-10-12 CN claimed
CN-1911925-A 3,4-dihydro-III 2 benzopyran-1 ketone kind compound, its preparation method and use SHANGHAI INST OF MEDICINE CAS (CN) 2007-02-14 CN claimed
US-20030120102-A1 Method for the preparation of (s) -2-acetylthio-3-phenylpropionic acid DSM IP ASSETS B.V. (NL) 2003-06-26 US claimed
CN-1425001-A Process for preparing -2-acetylthio-3-phenylpropionic acid DSM NV (NL) 2003-06-18 CN claimed
EP-1272466-A1 METHOD FOR THE PREPARATION OF (S)-2-ACETYLTHIO-3-PHENYLPROPIONIC ACID DSM N.V. (NL) 2003-01-08 EP claimed
WO-2001058865-A1 METHOD FOR THE PREPARATION OF (S)-2-ACETYLTHIO-3-PHENYLPROPIONIC ACID DSM N.V. (NL) 2001-08-16 WO claimed
EP-0451201-A1 PREPARATION OF BIDENTATE LIGANDS EASTMAN KODAK COMPANY (US) 1991-10-16 EP claimed
WO-1990006930-A1 PREPARATION OF BIDENTATE LIGANDS EASTMAN KODAK COMPANY (US) 1990-06-28 WO claimed
EP-0375576-A1 Preparation of bidentate ligands EASTMAN KODAK COMPANY (US) 1990-06-27 EP claimed
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
US-4618708-A ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT ROQUES BERNARD (FR) 1986-10-21 US disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 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-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 FFAR1 823/4885FFAR4 1054/4885KEAP1 801/4885

“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.