SCHEMBL307687

SCHEMBL307687

COC(=O)c1cccc(Cc2ccccc2Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.61
CYP4F2 P78329 2/20 0.56
CYP4A11 Q02928 2/20 0.56
SLC7A5 Q01650 1/20 0.53
MPO P05164 1/20 0.53
ADCY10 Q96PN6 1/20 0.48
HIF1A Q16665 1/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
STAT3 P40763 1/20 0.47
STAT1 P42224 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9851069 0.86 LOXL2 (0.61) LOXL2CYP4F2CYP4A11SLC7A5MPO
SCHEMBL305693 0.84 LOXL2 (0.56) LOXL2CYP4F2CYP4A11HPGDRAB9A
SCHEMBL1458108 0.83 LOXL2 (0.57) LOXL2CYP4F2CYP4A11SLC7A5MPO
SCHEMBL2069334 0.82 LOXL2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
SCHEMBL27168760 0.81 LOXL2 (0.51) LOXL2CYP4F2CYP4A11SLC7A5HPGD
SCHEMBL8891100 0.81 LOXL2 (0.55) LOXL2CYP4F2CYP4A11SLC7A5MPO
SCHEMBL6951914 0.78 PTPN1 (0.72) ALDH1A1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL20788374 0.78 CYSLTR1 (0.56) HIF1ARAB9AMRGPRX4SMN1; SMN2NPC1
SCHEMBL28212 0.77 LOXL2 (0.70) LOXL2CYP4F2CYP4A11SLC7A5HIF1A
SCHEMBL29592260 0.77 LOXL2 (0.70) LOXL2CYP4F2CYP4A11SLC7A5HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966166-B1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LTD (GB) 2013-01-23 EP disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
EP-1966166-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS Sterix Limited (GB) 2008-09-10 EP disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 WO 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 (2 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-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS CYP19A1, CYP21A2, CBR1 LOXL2 590/4885CYP4F2 157/4885CYP4A11 64/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 LOXL2 174/4885CYP4F2 824/4885CYP4A11 357/4885

“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.