SCHEMBL4890459

SCHEMBL4890459

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.50
ESR2 Q92731 6/20 0.50
ABL1 P00519 3/20 0.46
ABCB1 P08183 3/20 0.46
BCR P11274 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ERN1 O75460 1/20 0.44
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TTR P02766 1/20 0.39
ALOX5 P09917 1/20 0.39
AHR P35869 1/20 0.39

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
SCHEMBL5181460 0.78 TDP1 (0.53) ESR1ESR2MEN1KMT2ATDP1
SCHEMBL209239 0.78 HSD17B10 (0.50) MEN1KMT2AALDH1A1TDP1ERN1
SCHEMBL4891988 0.77 ESR1 (0.54) ESR1ESR2ABL1ABCB1BCR
SCHEMBL4891993 0.77 ESR1 (0.54) ESR1ESR2ABL1ABCB1BCR
SCHEMBL4897425 0.77 ESR1 (0.50) ESR1ESR2ERN1
SCHEMBL10539436 0.76 AHR (0.65) ESR1ESR2ABL1ABCB1BCR
SCHEMBL14399886 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TDP1ERN1
SCHEMBL6335821 0.72 AHR (0.70) ESR1ESR2ABL1ABCB1BCR
SCHEMBL28923728 0.71 SENP1 (0.45) ESR1ESR2ERN1ALDH5A1ABAT
SCHEMBL6702064 0.71 ALDH5A1 (0.50) ESR1ESR2ALDH1A1ERN1ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620392-B1 HYDROXY-BIPHENYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH CORP (US) 2007-06-27 EP 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 2/4885ABL1 171/4885
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, ESRRB ESR1 1/4885ESR2 2/4885ABL1 171/4885

“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.