SCHEMBL14552011

SCHEMBL14552011

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EYA3 Q99504 5/20 0.72
PTPN1 P18031 1/20 0.72
SLC22A12 Q96S37 5/20 0.63
CYP2C9 P11712 1/20 0.54
TTR P02766 1/20 0.54
NR1H4 Q96RI1 1/20 0.50
ESR1 P03372 1/20 0.48
PGR P06401 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
SLC6A2 P23975 1/20 0.48
PDE4A P27815 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48

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
SCHEMBL14552010 0.94 EYA3 (0.62) EYA3PTPN1SLC22A12TTRNR1H4
SCHEMBL5020570 0.91 EYA3 (0.77) EYA3PTPN1SLC22A12CYP2C9TTR
SCHEMBL5226741 0.88 EYA3 (0.72) EYA3PTPN1SLC22A12CYP2C9TTR
SCHEMBL15488929 0.87 SLC22A12 (0.58) EYA3PTPN1SLC22A12CYP2C9NR1H4
SCHEMBL14707711 0.87 KDM5A (0.63) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL11817673 0.87 EYA3 (0.70) EYA3PTPN1SLC22A12CYP2C9TTR
SCHEMBL4567255 0.87 EYA3 (0.70) EYA3PTPN1SLC22A12CYP2C9TTR
SCHEMBL18286467 0.86 NR1H4 (0.57) NR1H4ESR1PGRCHRM2HTR1A
SCHEMBL25390705 0.86 EYA3 (0.75) EYA3PTPN1CYP2C9TTRPGR
SCHEMBL5224414 0.86 EYA3 (0.69) EYA3PTPN1SLC22A12CYP2C9TTR

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
US-9512097-B2 Process for the preparation of 3-aroyl-5-aminobenzofuran derivatives LEK PHARMACEUTICALS D.D. (SI) 2016-12-06 US disclosed
US-8658808-B2 Process for the production of dronedarone intermediates SANOFI (FR) 2014-02-25 US disclosed
US-20130012729-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESIZING SAME, AND INTERMEDIATES SANOFI (FR) 2013-01-10 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-20130012729-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESIZING SAME, AND INTERMEDIATES NNMT, DHPS, NDUFC1 EYA3 1512/4885PTPN1 4282/4885SLC22A12 3763/4885

“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.