SCHEMBL4892044

SCHEMBL4892044

CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(C=O)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.41
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA9 Q16790 4/20 0.37
ERN1 O75460 1/20 0.36
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APP P05067 2/20 0.34
CYP2C19 P33261 1/20 0.34
DRD1 P21728 3/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4892901 0.85 PREP (0.37) PREPCA12CA1CA9ALDH1A1
SCHEMBL4892908 0.85 PREP (0.37) PREPCA12CA1CA9ALDH1A1
SCHEMBL8455901 0.85 BRD4 (0.37) ERN1KIF11ALDH1A1SMN1; SMN2CYP2C19
SCHEMBL4890854 0.81 PREP (0.50) PREPCA12CA1CA9KIF11
SCHEMBL896879 0.80 ALDH1A1 (0.50) PREPCA12CA1CA9ALDH1A1
SCHEMBL5679995 0.78 RARB (0.36) ERN1ALDH1A1SMN1; SMN2APPCYP2C19
SCHEMBL3923554 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2DRD2MEN1KMT2A
SCHEMBL1161803 0.76 CA12 (0.56) PREPCA12CA1CA9ALDH1A1
SCHEMBL6027756 0.75 ALDH1A1 (0.46) PREPCA12CA1CA9ALDH1A1
SCHEMBL17494817 0.74 ALDH1A1 (0.44) PREPCA12CA1CA9ALDH1A1

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 PREP 2705/4885CA12 747/4885CA1 1109/4885
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, ESRRB PREP 2705/4885CA12 747/4885CA1 1109/4885

“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.