SCHEMBL593979

SCHEMBL593979

O=C(O)c1cc(-c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.66
HNF4A P41235 2/20 0.66
DHFR P00374 1/20 0.66
MCL1 Q07820 1/20 0.66
PTPN1 P18031 2/20 0.61
FOLH1 Q04609 1/20 0.61
HSD17B10 Q99714 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.53
DCLRE1A Q6PJP8 1/20 0.53
DCLRE1B Q9H816 1/20 0.53
IKBKB O14920 1/20 0.52
AKR1C2 P52895 3/20 0.50
AKR1C1 Q04828 3/20 0.50
EIF4E P06730 1/20 0.50
CDC25B P30305 1/20 0.50
ATM Q13315 1/20 0.50
DHODH Q02127 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
GSTA1 P08263 1/20 0.50

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
SCHEMBL2892457 0.94 ACMSD (0.59) ACMSDHNF4ADHFRMCL1PTPN1
SCHEMBL21879680 0.94 ACMSD (0.68) ACMSDHNF4ADHFRMCL1PTPN1
SCHEMBL5487096 0.88 ACMSD (0.61) ACMSDHNF4ADHFRMCL1PTPN1
SCHEMBL31517115 0.87 ACMSD (0.59) ACMSDHNF4ADHFRMCL1PTPN1
SCHEMBL28694686 0.84 DCLRE1B (0.56) ACMSDHNF4ADHFRMCL1DCLRE1B
SCHEMBL31413664 0.84 SMN1; SMN2 (0.53) ACMSDHNF4ADHFRMCL1PTPN1
SCHEMBL5951431 0.84 SMN1; SMN2 (0.53) ACMSDHNF4ADHFRMCL1PTPN1
SCHEMBL2462821 0.83 ACMSD (0.66) ACMSDHNF4ADHFRMCL1PTPN1
SCHEMBL32677772 0.83 HNF4A (0.64) ACMSDHNF4ADHFRMCL1PTPN1
SCHEMBL505412 0.83 HNF4A (0.64) ACMSDHNF4ADHFRMCL1PTPN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110862368-B Photocatalytic oxidation synthesis method of benzocoumarin compound 浙江工业大学 2021-06-15 CN disclosed
CN-110862368-A Photocatalytic oxidation synthesis method of benzocoumarin compound 浙江工业大学 2020-03-06 CN disclosed
US-8114993-B2 Use of aryl chlorides in palladium-catalyzed C-H bond functionalization THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-02-14 US disclosed
US-8114993-B2 Use of aryl chlorides in palladium-catalyzed C-H bond functionalization THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-02-14 US disclosed
US-8114993-B2 Use of aryl chlorides in palladium-catalyzed C-H bond functionalization THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-02-14 US disclosed
US-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-01-08 US disclosed
US-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-01-08 US disclosed
US-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-01-08 US disclosed
EP-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 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-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION DBH, DDT, CYCS ACMSD 3149/4885HNF4A 957/4885DHFR 1121/4885

“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.