SCHEMBL5403663

SCHEMBL5403663

ON=Cc1ccc(-c2ccc(O)c(F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.51
HSD17B2 P37059 4/20 0.51
MGLL Q99685 6/20 0.50
ESR1 P03372 6/20 0.50
ESR2 Q92731 6/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP17A1 P05093 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP19A1 P11511 2/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5403661 1.00 HSD17B1 (0.51) HSD17B1HSD17B2MGLLESR1ESR2
SCHEMBL17329459 0.85 L3MBTL1 (0.52) MGLLESR1ESR2KDM4ELMNA
SCHEMBL17329458 0.85 L3MBTL1 (0.52) MGLLESR1ESR2KDM4ELMNA
SCHEMBL857363 0.78 ESR1 (0.68) HSD17B1HSD17B2MGLLESR1ESR2
SCHEMBL30635318 0.78 ESR1 (0.68) HSD17B1HSD17B2MGLLESR1ESR2
SCHEMBL4896554 0.77 ESR1 (0.48) HSD17B1HSD17B2MGLLESR1ESR2
SCHEMBL4897802 0.77 HSD17B1 (0.50) HSD17B1HSD17B2MGLLESR1ESR2
SCHEMBL4897806 0.77 HSD17B1 (0.50) HSD17B1HSD17B2MGLLESR1ESR2
SCHEMBL4896546 0.77 ESR1 (0.48) HSD17B1HSD17B2MGLLESR1ESR2
SCHEMBL4896777 0.74 ALDH1A1 (0.58) ESR1ESR2KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279600-B2 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-10-09 US 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 (1 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-20050020676-A1 Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, ESRRB HSD17B1 147/4885HSD17B2 102/4885MGLL 4128/4885

“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.