SCHEMBL697461

SCHEMBL697461

COC(=O)CCc1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 3/20 0.46
F2RL1 P55085 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
IDO1 P14902 1/20 0.45
EPHX2 P34913 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL21183315 0.89 CYP4Z1 (0.45) CYP4F2CYP4A11ALDH1A1KMT2AF2RL1
SCHEMBL1747384 0.88 FFAR1 (0.56) ALDH1A1ADRB2ADRB1LMNAMAPT
SCHEMBL22922181 0.87 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1KMT2AF2RL1
SCHEMBL10083065 0.86 CYP4Z1 (0.45) CYP4F2CYP4A11ALDH1A1KMT2ACYP4Z1
SCHEMBL10055902 0.86 ALDH1A1 (0.42) CYP4F2CYP4A11ALDH1A1CYP4Z1CYP11B1
SCHEMBL15494077 0.85 IDO1 (0.49) CYP4F2CYP4A11ALDH1A1KMT2AADRB2
SCHEMBL349384 0.84 CYP4F2 (0.70) CYP4F2CYP4A11KMT2ACYP4Z1EPHX2
SCHEMBL28351306 0.84 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1KMT2AF2RL1
SCHEMBL693698 0.84 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1KMT2AF2RL1
SCHEMBL11888662 0.83 FFAR1 (0.46) ALDH1A1KMT2ACYP4Z1HRH3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106316837-A Preparation method for substituted phenylacetic acid derivatives 浙江九洲药业股份有限公司 2017-01-11 CN claimed
CN-115595200-A Metal lubricating cutting fluid and preparation method thereof 安徽韩铝环保新材料有限公司(CN) 2023-01-13 CN disclosed
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2021-01-28 US disclosed
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-11-17 US disclosed
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2020-05-28 US disclosed
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-03-17 US disclosed
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-10-03 US disclosed
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2019-07-23 US disclosed
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-02-14 US disclosed
EP-3210981-B1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA 2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE RESPIRATORY CO LLC (US) 2019-01-02 EP disclosed
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 WO disclosed
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 WO disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 WO disclosed
US-6413995-B1 IMMUNOMODULATORS TSUMURA & CO. (JP) 2002-07-02 US disclosed
EP-1142875-A1 CINNAMAMIDE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME TSUMURA & CO. (JP) 2001-10-10 EP disclosed
WO-1992009561-A1 NEW AMIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-06-11 WO disclosed
US-4713486-A ANTIALLERGENS BEECHAM GROUP P.L.C. (GB) 1987-12-15 US disclosed
EP-0109225-B1 ARACHIDONIC ACID ANALOGUES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1985-08-28 EP disclosed
EP-0109225-A1 Arachidonic acid analogues, processes for their preparation and their use in medicine BEECHAM GROUP PLC (GB) 1984-05-23 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 (8 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-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CYP4F2 1554/4885CYP4A11 1051/4885ALDH1A1 1263/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A CYP4F2 1433/4885CYP4A11 1100/4885ALDH1A1 1282/4885
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK CYP4F2 4296/4885CYP4A11 4408/4885ALDH1A1 4597/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CYP4F2 2223/4885CYP4A11 751/4885ALDH1A1 1382/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CYP4F2 1554/4885CYP4A11 1051/4885ALDH1A1 1263/4885
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CYP4F2 1856/4885CYP4A11 1089/4885ALDH1A1 1356/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CYP4F2 1554/4885CYP4A11 1051/4885ALDH1A1 1263/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A CYP4F2 1607/4885CYP4A11 1032/4885ALDH1A1 1297/4885

“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.