SCHEMBL5153371

SCHEMBL5153371

COc1ccc(-c2ccc(C=O)c3ccoc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
ERN1 O75460 3/20 0.40
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
BCHE P06276 1/20 0.39
ALOX5 P09917 1/20 0.39
ALOX15 P16050 1/20 0.39
ACHE P22303 1/20 0.39
CYP2A6 P11509 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL5155542 0.89 ALDH1A1 (0.41) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL5153997 0.81 ESR1 (0.40) ALDH1A1ERN1TRIM24TRIM33ALOX15
SCHEMBL5152892 0.79 MAPT (0.43) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL2992833 0.75 ALDH1A1 (0.50) ALDH1A1ERN1ALOX15MEN1KMT2A
SCHEMBL5152839 0.73 MAPT (0.43) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL12565939 0.73 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL7608939 0.72 ERN1 (0.58) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL5153397 0.71 ERN1 (0.52) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL5150418 0.71 ALDH1A1 (0.42) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL5150242 0.70 ALDH1A1 (0.45) ALDH1A1ERN1CYP2A6MEN1KMT2A

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 11 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
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-02-22 US 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
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
US-7157491-B2 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents WYETH (US) 2007-01-02 US 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 ALDH1A1 427/4885ERN1 1356/4885TRIM24 2466/4885
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, GPER1 ALDH1A1 380/4885ERN1 1221/4885TRIM24 2141/4885

“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.