SCHEMBL6139780

SCHEMBL6139780

CCCCc1oc2ccc(C(=O)OC(C)C)cc2c1C(=O)c1ccc(CCCCBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EYA3 Q99504 2/20 0.50
PTPN1 P18031 1/20 0.50
NR1H4 Q96RI1 1/20 0.48
SIRT3 Q9NTG7 2/20 0.47
TTR P02766 1/20 0.47
ESR1 P03372 1/20 0.45
PGR P06401 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 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
SCHEMBL6139677 0.98 EYA3 (0.50) EYA3PTPN1NR1H4SIRT3TTR
SCHEMBL6139951 0.91 CYP4F2 (0.45) EYA3PTPN1NR1H4SIRT3TTR
SCHEMBL6139790 0.91 EYA3 (0.48) EYA3PTPN1NR1H4SIRT3TTR
Celivarone SCHEMBL3251183 0.91 ESR1 (0.53) ESR1PGRCHRM2HTR1AADRA2A
Celivarone SCHEMBL29378821 0.91 ESR1 (0.53) ESR1PGRCHRM2HTR1AADRA2A
Oxalic Acid SCHEMBL6139428 0.89 ESR1 (0.51) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6139739 0.89 PTPN1 (0.50) EYA3PTPN1NR1H4ESR1PGR
Celivarone SCHEMBL6139507 0.88 ESR1 (0.51) ESR1PGRCHRM2HTR1AADRA2A
Celivarone SCHEMBL3255132 0.87 ESR1 (0.55) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6140054 0.87 ESR1 (0.49) SIRT3ESR1PGRCHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949583-B2 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same SANOFI-SYNTHELABO (FR) 2005-09-27 US disclosed
US-20030225100-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same SANOFI (FR) 2003-12-04 US 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-20030225100-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same NR2C2, NR4A2, NR5A2 EYA3 4589/4885PTPN1 1994/4885NR1H4 47/4885

“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.