SCHEMBL5153758

SCHEMBL5153758

COc1ccc(-c2ccc(Br)c3sccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
APP P05067 1/20 0.37
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
BACE1 P56817 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
LMNA P02545 1/20 0.36
OPRD1 P41143 1/20 0.35
PTGS1 P23219 1/20 0.35
CYP1A1 P04798 1/20 0.35

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
SCHEMBL5150561 0.88 PTGS2 (0.40) PTGS2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL12565807 0.83 CYP1A1 (0.44) PTGS2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14620749 0.81 PTGS2 (0.40) PTGS2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5153353 0.78 ALDH1A1 (0.42) PTGS2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL15463011 0.75 APP (0.41) PTGS2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1980713 0.75 ABL1 (0.50) KDM4EABL1ABCB1BCRBACE1
SCHEMBL2779082 0.73 PTGS2 (0.50) PTGS2KDM4ERAB9ANPC1APP
SCHEMBL3608839 0.73 MAPT (0.43) KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL15463020 0.73 NOD2 (0.46) PTGS2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL15462978 0.73 PTGS2 (0.39) PTGS2RAB9ANPC1APPABL1

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 PTGS2 916/4885KDM4E 250/4885CYP1A2 123/4885
US-20070043077-A1 Aryl-carbaldehyde oxime derivatives and their use as estrogenic agents ESR1, ESR2, GPER1 PTGS2 904/4885KDM4E 226/4885CYP1A2 103/4885

“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.