SCHEMBL5153336

SCHEMBL5153336

COC(C)OC.O=CCSc1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HTR7 P34969 1/20 0.41
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL10564065 0.82 MTNR1A (0.43) CA1CA2CA4CA7CA9
SCHEMBL3224922 0.78 MAOA (0.42) MAOAMAOBCYP2C19ALDH1A1LMNA
SCHEMBL2478901 0.73 ALDH1A1 (0.40) CYP2C19CYP2C9ALDH1A1CYP3A4ALOX15
SCHEMBL5153339 0.70 MAOA (0.61) MAOAMAOBHTR7CYP2C19CYP2C9
SCHEMBL22650245 0.70 KMT2A (0.37) MAOAMAOBCYP2C9CA1CA2
SCHEMBL6324 0.70 LMNA (0.43) CYP2C19CYP2C9CA1CA2ALDH1A1
SCHEMBL10509688 0.70 MTNR1A (0.50) CA1CA2CA4CA7CA9
SCHEMBL6033430 0.68 HTR7 (0.49) MAOAMAOBHTR7CYP2C9CA1
SCHEMBL5333367 0.68 MAOA (0.72) MAOAMAOBHTR7CA1CA2
SCHEMBL8161046 0.68 HTR7 (0.52) MAOAMAOBHTR7CA1CA2

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 6 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
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 MAOA 1245/4885MAOB 1064/4885HTR7 632/4885
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, GPER1 MAOA 1176/4885MAOB 1085/4885HTR7 585/4885

“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.