SCHEMBL3250702

SCHEMBL3250702

O=C(O)c1ccc2oc(CCCCO)c(C(=O)c3ccc(CCCBr)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.44
EYA3 Q99504 2/20 0.40
SLC22A12 Q96S37 2/20 0.40
PTPN1 P18031 1/20 0.40
TTR P02766 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TBXAS1 P24557 1/20 0.37
ESR1 P03372 1/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
PDE4A P27815 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL3256165 0.89 NR1H4 (0.56) NR1H4EYA3PTPN1TTRESR1
SCHEMBL3247956 0.89 NR1H4 (0.56) NR1H4EYA3SLC22A12PTPN1TTR
Hydrochloric Acid SCHEMBL6139669 0.88 NR1H4 (0.55) NR1H4EYA3PTPN1TTRESR1
SCHEMBL3251940 0.88 NR1H4 (0.43) NR1H4ESR1PGRCHRM2HTR1A
SCHEMBL3251890 0.86 ESR1 (0.51) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6139951 0.85 CYP4F2 (0.45) NR1H4EYA3SLC22A12PTPN1TTR
SCHEMBL3251537 0.80 NR1H4 (0.56) NR1H4EYA3SLC22A12PTPN1TTR
SCHEMBL3251883 0.80 ESR1 (0.55) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL3249884 0.80 NR1H4 (0.58) NR1H4EYA3SLC22A12PTPN1TTR
SCHEMBL6139664 0.80 EYA3 (0.52) NR1H4EYA3SLC22A12PTPN1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315709-B1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
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 NR1H4 47/4885EYA3 4589/4885SLC22A12 2192/4885

“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.