SCHEMBL4891993

SCHEMBL4891993

ON=Cc1c(Cl)cc(-c2ccc(O)cc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.54
ESR2 Q92731 8/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
ABL1 P00519 3/20 0.43
ABCB1 P08183 3/20 0.43
BCR P11274 3/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TTR P02766 1/20 0.37
ALOX5 P09917 1/20 0.36
AHR P35869 1/20 0.36
MMP3 P08254 1/20 0.35
BCL2L1 Q07817 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35

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
SCHEMBL4891988 1.00 ESR1 (0.54) ESR1ESR2CA12CA1CA2
SCHEMBL4899840 0.80 ESR2 (0.50) ESR1ESR2CA12CA1CA2
SCHEMBL4899836 0.80 ESR2 (0.50) ESR1ESR2CA12CA1CA2
SCHEMBL4896546 0.78 ESR1 (0.48) ESR1ESR2CA12CA1CA2
SCHEMBL22310452 0.78 ESR2 (0.49) ESR1ESR2CA12CA1CA2
SCHEMBL22310455 0.78 ESR2 (0.44) ESR1ESR2CA12CA1CA2
SCHEMBL4896554 0.78 ESR1 (0.48) ESR1ESR2CA12CA1CA2
SCHEMBL4890459 0.77 ESR1 (0.50) ESR1ESR2ABL1ABCB1BCR
SCHEMBL10539436 0.73 AHR (0.65) ESR1ESR2ABL1ABCB1BCR
SCHEMBL28153812 0.73 ALDH1A1 (0.42) ESR1ESR2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279600-B2 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-10-09 US claimed
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 claimed
EP-1620392-B1 HYDROXY-BIPHENYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH CORP (US) 2007-06-27 EP claimed
EP-1620392-A2 HYDROXY-BIPHENYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS Wyeth (US) 2006-02-01 EP claimed
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH 2005-01-27 US claimed
WO-2004099122-A2 HYDROXY-BIPHENYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2004-11-18 WO claimed
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 ESR1 1/4885ESR2 2/4885CA12 747/4885
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, ESRRB ESR1 1/4885ESR2 2/4885CA12 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.