SCHEMBL5153997

SCHEMBL5153997

O=Cc1ccc(-c2ccc(O)cc2)c2occc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.40
ESR2 Q92731 6/20 0.40
ERN1 O75460 4/20 0.38
XDH P47989 1/20 0.36
PFKFB3 Q16875 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
CA12 O43570 1/20 0.35
AKR1B10 O60218 1/20 0.35
LMNA P02545 1/20 0.35
TTR P02766 1/20 0.35
TP53 P04637 1/20 0.35
ALDH2 P05091 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL5153707 0.88 ESR1 (0.40) ESR1ESR2ERN1XDHPFKFB3
SCHEMBL5150221 0.82 ESR1 (0.42) ESR1ESR2XDHPFKFB3ALDH1A1
SCHEMBL5150226 0.82 ESR1 (0.42) ESR1ESR2XDHPFKFB3ALDH1A1
SCHEMBL5153036 0.82 ESR1 (0.42) ESR1ESR2XDHPFKFB3ALDH1A1
SCHEMBL5153371 0.81 ALDH1A1 (0.41) ERN1ALDH1A1MAPTKDM4ENPC1
SCHEMBL2992957 0.76 ERN1 (0.44) ERN1KDM4ENPC1RAB9AMEN1
SCHEMBL25286059 0.73 DRD1 (0.39) ALDH1A1MAPTHSD17B10KDM4ENPC1
SCHEMBL29693539 0.73 DRD1 (0.39) ALDH1A1MAPTHSD17B10KDM4ENPC1
SCHEMBL5155695 0.73 ESR1 (0.46) ESR1ESR2XDHPFKFB3ALDH1A1
SCHEMBL5150266 0.73 ESR1 (0.46) ESR1ESR2XDHPFKFB3ALDH1A1

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-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-02-22 US disclosed
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-02-22 US disclosed
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-02-22 US disclosed
EP-1633699-B1 ARYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH CORP (US) 2007-01-03 EP disclosed
US-7157491-B2 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-01-02 US disclosed
US-7157491-B2 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-01-02 US disclosed
US-7157491-B2 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-01-02 US disclosed
EP-1633699-A2 ARYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS Wyeth (US) 2006-03-15 EP disclosed
US-20050009907-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH 2005-01-13 US disclosed
WO-2004103941-A2 ARYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2004-12-02 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-20050009907-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885ERN1 1356/4885
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885ERN1 1221/4885

“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.