SCHEMBL4898121

SCHEMBL4898121

COc1ccc(-c2ccc(C=O)c(Cl)c2Cl)cc1F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.54
PTGS2 P35354 7/20 0.46
PTGS1 P23219 4/20 0.45
TDP2 O95551 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP17A1 P05093 1/20 0.41
AR P10275 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
SCHEMBL5402770 0.83 ERN1 (0.42) ERN1PTGS2PTGS1TDP2L3MBTL1
SCHEMBL5402767 0.83 ERN1 (0.42) ERN1PTGS2PTGS1TDP2L3MBTL1
SCHEMBL4898033 0.81 ERN1 (0.62) ERN1PTGS2PTGS1TDP2L3MBTL1
SCHEMBL5150260 0.81 ERN1 (0.54) ERN1PTGS2PTGS1TDP2L3MBTL1
SCHEMBL4896846 0.78 ESR2 (0.49) ERN1CYP17A1
SCHEMBL22309433 0.76 ERN1 (0.46) ERN1PTGS2PTGS1L3MBTL1AR
SCHEMBL4898660 0.75 ALDH1A1 (0.50) ERN1L3MBTL1
SCHEMBL1726758 0.74 ALDH1A1 (0.46) ERN1L3MBTL1
SCHEMBL26704263 0.73 ERN1 (0.51) ERN1
SCHEMBL3691088 0.72 ERN1 (0.57) ERN1PTGS2PTGS1

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-20080033049-A1 Hydroxy-Biphenyl-Carbaldehyde Oxime Derivatives and Their Use As Estrogenic Agents WYETH (US) 2008-02-07 US disclosed
US-20080033049-A1 Hydroxy-Biphenyl-Carbaldehyde Oxime Derivatives and Their Use As Estrogenic Agents WYETH (US) 2008-02-07 US disclosed
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
US-7279600-B2 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-10-09 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-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-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 ERN1 2045/4885PTGS2 1000/4885PTGS1 857/4885
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, ESRRB ERN1 2045/4885PTGS2 1000/4885PTGS1 857/4885

“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.