SCHEMBL5402767

SCHEMBL5402767

COc1ccc(-c2ccc(/C=N/O)c(Cl)c2Cl)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.42
PTGS2 P35354 5/20 0.40
MGLL Q99685 5/20 0.40
PTGS1 P23219 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
AR P10275 1/20 0.39
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
TDP2 O95551 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL5402770 1.00 ERN1 (0.42) ERN1PTGS2MGLLPTGS1L3MBTL1
SCHEMBL22309433 0.90 ERN1 (0.46) ERN1PTGS2MGLLPTGS1L3MBTL1
SCHEMBL4898121 0.83 ERN1 (0.54) ERN1PTGS2PTGS1L3MBTL1AR
SCHEMBL4898311 0.81 ESR1 (0.48) MGLLKDM4E
SCHEMBL4898305 0.81 ESR1 (0.48) MGLLKDM4E
SCHEMBL23815119 0.76 SLC2A1 (0.39) ERN1PTGS2PTGS1L3MBTL1KDM4E
SCHEMBL20148160 0.73 KMT2A (0.44) L3MBTL1KDM4EKMT2AHPGDTSHR
SCHEMBL20150808 0.73 KMT2A (0.44) L3MBTL1KDM4EKMT2AHPGDTSHR
SCHEMBL15542687 0.72 ESR1 (0.47) MGLLKDM4E
SCHEMBL17353846 0.72 ESR1 (0.47) MGLLKDM4E

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 ERN1 2045/4885PTGS2 1000/4885MGLL 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.