SCHEMBL4896568

SCHEMBL4896568

COc1ccc(-c2ccc(C=O)c(-c3ccc(OC)cc3C)c2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TRIM24 O15164 1/20 0.49
TYR P14679 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
ERN1 O75460 4/20 0.45
GSTP1 P09211 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4889755 0.87 ALDH1A1 (0.49) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL17508271 0.80 ALDH1A1 (0.58) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL31374896 0.80 ALDH1A1 (0.58) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL135243 0.78 ALDH1A1 (0.66) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL19540609 0.76 POLB (0.56) ALDH1A1GSTP1CYP1A2CYP2C19KDM4E
SCHEMBL19257397 0.76 MAOB (0.46) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL679848 0.76 SMN1; SMN2 (0.55) GSTP1CYP1A2CYP2C19KDM4ESMN1; SMN2
SCHEMBL12326180 0.76 CA1 (0.50) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL4455043 0.74 KDM4E (0.45) ALDH1A1ERN1GSTP1CYP1A2CYP2C19
SCHEMBL28854283 0.74 ALDH1A1 (0.60) ALDH1A1TRIM24TYRTRIM33ERN1

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 10 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
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
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 ALDH1A1 348/4885TRIM24 2699/4885TYR 1631/4885
US-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, ESRRB ALDH1A1 348/4885TRIM24 2699/4885TYR 1631/4885

“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.