SCHEMBL5156136

SCHEMBL5156136

O=Cc1ccc(-c2ccc(O)c(F)c2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.52
ESR2 Q92731 6/20 0.52
ERN1 O75460 5/20 0.48
GCGR P47871 2/20 0.43
HSD17B1 P14061 4/20 0.42
HSD17B2 P37059 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
IDO1 P14902 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACMSD Q8TDX5 1/20 0.40

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
SCHEMBL5153007 0.82 GCGR (0.47) ESR1ESR2ERN1GCGRHSD17B1
SCHEMBL5157679 0.82 GCGR (0.47) ESR1ESR2ERN1GCGRHSD17B1
SCHEMBL5153014 0.82 GCGR (0.47) ESR1ESR2ERN1GCGRHSD17B1
SCHEMBL4896846 0.79 ESR2 (0.49) ESR1ESR2ERN1HSD17B1HSD17B2
SCHEMBL5150260 0.78 ERN1 (0.54) ERN1KDM4EMEN1KMT2ANPSR1
SCHEMBL7163447 0.77 MEN1 (0.47) ERN1KDM4EMEN1NPC1HSP90AA1
SCHEMBL30679644 0.77 PTPN1 (0.46) ERN1
SCHEMBL30687893 0.76 PELI1 (0.45) ERN1HSD17B1HSD17B2KDM4EMEN1
SCHEMBL26681203 0.76 PELI1 (0.45) ERN1HSD17B1HSD17B2KDM4EMEN1
SCHEMBL6644760 0.75 ESR1 (0.63) ESR1ESR2ERN1HSD17B1HSD17B2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100344610-C Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH CORP (US) 2007-10-24 CN 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
CN-1791570-A Aryl-formaldoxime derivatives and their use as estrogenic agents WYETH CORP (US) 2006-06-21 CN 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.