SCHEMBL6180314

SCHEMBL6180314

O=C(O)CC(Cc1ccc(O)cc1)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.51
▸ ESR2 Q92731 7/20 0.51
▸ SLC7A5 Q01650 1/20 0.44
▸ MME P08473 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CAMK2A Q9UQM7 1/20 0.42
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ GABBR2 O75899 2/20 0.41
▸ GABBR1 Q9UBS5 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL10523496 0.87 MIF (0.54) MMEFNTAFNTBMIFGABBR2
SCHEMBL6177276 0.85 GABBR2 (0.56) ESR1ESR2SLC7A5FNTAFNTB
SCHEMBL6177284 0.85 GABBR2 (0.56) ESR1ESR2SLC7A5FNTAFNTB
SCHEMBL6178799 0.85 GABBR2 (0.56) ESR1ESR2SLC7A5FNTAFNTB
SCHEMBL6181144 0.84 ESR1 (0.56) ESR1ESR2SLC7A5FNTAFNTB
SCHEMBL27582759 0.84 ESR1 (0.51) ESR1ESR2SLC7A5MMECA2
SCHEMBL3522427 0.83 MIF (0.50) MMEFNTAFNTBMIFFFAR1
SCHEMBL657687 0.81 FNTA (0.54) FNTAFNTBGABBR2GABBR1LMNA
SCHEMBL6490172 0.81 ESR1 (0.49) ESR1ESR2FNTAFNTBFFAR1
SCHEMBL27535203 0.80 ESR1 (0.51) ESR1ESR2CA2MIFLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 — — EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 — — US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 — — EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 — — 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 (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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR ESR1 733/4885ESR2 203/4885SLC7A5 2764/4885

“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.

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