SCHEMBL4896554

SCHEMBL4896554

ON=Cc1c(Cl)cc(-c2ccc(O)c(F)c2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.48
ESR2 Q92731 12/20 0.48
MGLL Q99685 6/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL4896546 1.00 ESR1 (0.48) ESR1ESR2MGLLCA12CA1
SCHEMBL4897802 0.84 HSD17B1 (0.50) ESR1ESR2MGLLHSD17B1HSD17B2
SCHEMBL4897806 0.84 HSD17B1 (0.50) ESR1ESR2MGLLHSD17B1HSD17B2
SCHEMBL22310452 0.81 ESR2 (0.49) ESR1ESR2CA12CA1CA2
SCHEMBL22310455 0.81 ESR2 (0.44) ESR1ESR2CA12CA1CA2
SCHEMBL4897425 0.81 ESR1 (0.50) ESR1ESR2HSD17B1HSD17B2KDM4E
SCHEMBL4891988 0.78 ESR1 (0.54) ESR1ESR2CA12CA1CA2
SCHEMBL4891993 0.78 ESR1 (0.54) ESR1ESR2CA12CA1CA2
SCHEMBL5403663 0.77 HSD17B1 (0.51) ESR1ESR2MGLLHSD17B1HSD17B2
SCHEMBL5403661 0.77 HSD17B1 (0.51) ESR1ESR2MGLLHSD17B1HSD17B2

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 9 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
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH 2005-01-27 US 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
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH 2005-01-27 US 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 2/4885MGLL 4128/4885
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, ESRRB ESR1 1/4885ESR2 2/4885MGLL 4128/4885

“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.