SCHEMBL305693

SCHEMBL305693

COC(=O)c1ccc(Cc2ccccc2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CCR6 P51684 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
MAPT P10636 4/20 0.50
RAB9A P51151 4/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP4A11 Q02928 2/20 0.47
HPGD P15428 1/20 0.47
CYP4F2 P78329 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL1773348 0.84 LOXL2 (0.51) LOXL2CA1CA2CA12CA9
SCHEMBL8992964 0.84 MAPT (0.56) LOXL2CA1CA2CA12CA9
SCHEMBL307687 0.84 LOXL2 (0.61) LOXL2MAPTRAB9ATSHRKMT2A
SCHEMBL28840787 0.83 RAB9A (0.49) CA1CA2CA12CA9MAPT
SCHEMBL1773407 0.83 LOXL2 (0.53) LOXL2CA1CA2CA12CA9
SCHEMBL2579068 0.83 KEAP1 (0.56) LOXL2CA1CA2CA12CA9
SCHEMBL70372 0.83 TSHR (0.57) LOXL2CA1CA2CA12CA9
SCHEMBL12812400 0.82 LMNA (0.62) CA1CA2CA12CA9MAPT
SCHEMBL27168760 0.82 LOXL2 (0.51) LOXL2CA1CA2CCR6HKDC1
SCHEMBL8406694 0.82 LMNA (0.54) LOXL2CA1CA2MAPTRAB9A

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 590/4885CA1 786/4885CA2 502/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 LOXL2 174/4885CA1 2560/4885CA2 1559/4885

“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.