SCHEMBL6139734

SCHEMBL6139734

CCCCc1oc2cc(C(=O)OC)ccc2c1C(=O)c1ccc(CCCBr)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
TTR P02766 1/20 0.47
SIRT3 Q9NTG7 5/20 0.46
KDM5A P29375 1/20 0.44
KDM7A Q6ZMT4 1/20 0.44
SLC22A12 Q96S37 2/20 0.43
ESR1 P03372 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
SLC6A4 P31645 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
SCHEMBL6140006 0.92 PTPN1 (0.50) EYA3PTPN1NR1H4ESR1PGR
SCHEMBL6139790 0.90 EYA3 (0.48) EYA3PTPN1NR1H4TTRSIRT3
SCHEMBL6139739 0.90 PTPN1 (0.50) EYA3PTPN1NR1H4ESR1PGR
SCHEMBL3251537 0.89 NR1H4 (0.56) EYA3PTPN1NR1H4TTRSIRT3
SCHEMBL5671830 0.88 KDM5A (0.56) SIRT3KDM5AKDM7AESR1PGR
SCHEMBL6139604 0.83 PTPN1 (0.52) EYA3PTPN1NR1H4ESR1PGR
SCHEMBL6139677 0.83 EYA3 (0.50) EYA3PTPN1NR1H4TTRSIRT3
SCHEMBL6139392 0.82 ESR1 (0.58) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6139492 0.81 EYA3 (0.45) EYA3PTPN1NR1H4TTRKDM5A
SCHEMBL6139780 0.81 EYA3 (0.50) EYA3PTPN1NR1H4TTRSIRT3

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.