SCHEMBL4887803

SCHEMBL4887803

O/N=C/c1ccccc1-c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.47
ESR1 P03372 3/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ABL1 P00519 2/20 0.47
ABCB1 P08183 2/20 0.47
BCR P11274 2/20 0.47
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
BACE1 P56817 1/20 0.42
MMP3 P08254 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
SCHEMBL4887808 1.00 ESR2 (0.47) ESR2ESR1CA12CA1CA2
SCHEMBL11243257 0.86 APP (0.42) ESR2ESR1CA12CA1CA2
SCHEMBL2160707 0.86 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2160705 0.86 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3323469 0.86 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7068298 0.83 FGF23 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5150626 0.80 ESR2 (0.47) ESR2ESR1CA12CA1CA2
SCHEMBL18489569 0.80 SIRT2 (0.50) CA12CA1CA2CA9ABL1
SCHEMBL5150620 0.80 ESR2 (0.47) ESR2ESR1CA12CA1CA2
SCHEMBL14675605 0.78 ALOX5 (0.55) ESR2ESR1CA12CA1CA2

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
US-20080033049-A1 Hydroxy-Biphenyl-Carbaldehyde Oxime Derivatives and Their Use As Estrogenic Agents WYETH (US) 2008-02-07 US disclosed
US-7279600-B2 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-10-09 US disclosed
EP-1808429-A2 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents Wyeth a Corporation of the State of Delaware (US) 2007-07-18 EP disclosed
EP-1620392-B1 HYDROXY-BIPHENYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH CORP (US) 2007-06-27 EP disclosed
EP-1620392-A2 HYDROXY-BIPHENYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS Wyeth (US) 2006-02-01 EP disclosed
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH 2005-01-27 US disclosed
WO-2004099122-A2 HYDROXY-BIPHENYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2004-11-18 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-20080033049-A1 Hydroxy-Biphenyl-Carbaldehyde Oxime Derivatives and Their Use As Estrogenic Agents ESR1, ESR2, ESRRB ESR2 2/4885ESR1 1/4885CA12 747/4885
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, ESRRB ESR2 2/4885ESR1 1/4885CA12 747/4885

“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.