SCHEMBL5153014

SCHEMBL5153014

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.47
ESR1 P03372 9/20 0.44
ESR2 Q92731 9/20 0.44
MGLL Q99685 6/20 0.42
HSD17B1 P14061 3/20 0.40
HSD17B2 P37059 2/20 0.40
ERN1 O75460 1/20 0.37

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
SCHEMBL5157679 1.00 GCGR (0.47) GCGRESR1ESR2MGLLHSD17B1
SCHEMBL5153007 1.00 GCGR (0.47) GCGRESR1ESR2MGLLHSD17B1
SCHEMBL22309429 0.83 ERN1 (0.37) GCGRESR1ESR2ERN1
SCHEMBL14580131 0.83 TLR8 (0.46) GCGRESR1ESR2HSD17B1HSD17B2
SCHEMBL5156136 0.82 ESR1 (0.52) GCGRESR1ESR2HSD17B1HSD17B2
SCHEMBL4898305 0.80 ESR1 (0.48) ESR1ESR2MGLLHSD17B1HSD17B2
SCHEMBL4898311 0.80 ESR1 (0.48) ESR1ESR2MGLLHSD17B1HSD17B2
SCHEMBL15542687 0.79 ESR1 (0.47) ESR1ESR2MGLLHSD17B1HSD17B2
SCHEMBL29576668 0.79 ESR1 (0.47) ESR1ESR2MGLLHSD17B1HSD17B2
SCHEMBL17353846 0.79 ESR1 (0.47) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007503466-A 2007-02-22 JP claimed
EP-1633699-B1 ARYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH CORP (US) 2007-01-03 EP claimed
US-7157491-B2 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-01-02 US claimed
EP-1633699-A2 ARYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS Wyeth (US) 2006-03-15 EP claimed
US-20050009907-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH 2005-01-13 US claimed
WO-2004103941-A2 ARYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2004-12-02 WO claimed
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
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 GCGR 222/4885ESR1 1/4885ESR2 2/4885
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, GPER1 GCGR 257/4885ESR1 1/4885ESR2 2/4885

“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.