SCHEMBL5153274

SCHEMBL5153274

COc1ccc(-c2ccc(C)c(O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
CASP3 P42574 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
HDAC4 P56524 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
DYRK1A Q13627 2/20 0.50
ABL1 P00519 3/20 0.48
ABCB1 P08183 3/20 0.48
BCR P11274 3/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL929945 0.83 CYP3A4 (0.56) ESR2NPC1TP53MAPK1CASP3
SCHEMBL47861 0.82 TSHR (0.56) ESR2TP53MAPK1ALOX5PTGS1
SCHEMBL2097981 0.81 DYRK1A (0.55) ESR2NPC1TP53MAPK1CASP3
SCHEMBL13695139 0.80 TSHR (0.45) MAPK1MEN1KMT2A
SCHEMBL1007614 0.79 MCL1 (0.52) TP53MAPK1ALOX5PTGS1
SCHEMBL29878426 0.78 CYP3A4 (0.65) ESR2NPC1TP53MAPK1CASP3
SCHEMBL22459215 0.77 ESR2 (0.70) ESR2NPC1TP53MAPK1CASP3
SCHEMBL1005170 0.77 ALOX5 (0.64) ESR2HDAC4HDAC2HDAC8MEN1
SCHEMBL12761975 0.77 PKM (0.58) ESR2NPC1TP53MAPK1CASP3
SCHEMBL12387990 0.76 APP (0.70) ALOX5PTGS1

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 10 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
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 ESR2 2/4885NPC1 4288/4885TP53 959/4885
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, GPER1 ESR2 2/4885NPC1 4214/4885TP53 915/4885

“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.