SCHEMBL5518178

SCHEMBL5518178

COc1ccc(N(CCc2cccc(OC)c2)C(C)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.54
ACHE P22303 3/20 0.53
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
BMP1 P13497 1/20 0.50
TSPO P30536 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 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
SCHEMBL5519402 0.90 ACHE (0.57) AOC3ACHEMTNR1AMTNR1BTAAR1
SCHEMBL5515766 0.87 OPRM1 (0.53) AOC3MTNR1AMTNR1BBMP1
SCHEMBL3648866 0.85 ALOX5 (0.58) AOC3BMP1PTGESALOX5
SCHEMBL5513402 0.83 AOC3 (0.50) AOC3ACHEMTNR1AMTNR1BBMP1
SCHEMBL6184511 0.83 KMT2A (0.62) AOC3BMP1TSPOCHRM1CHRM3
SCHEMBL6715386 0.82 NPC1 (0.61) AOC3ACHEPTGESALOX5CHRM1
SCHEMBL11225170 0.82 CHRM5 (0.60) ACHEMTNR1AMTNR1BTSPOALOX5
SCHEMBL6715335 0.79 PTGES (0.60) AOC3ACHEMTNR1AMTNR1BPTGES
SCHEMBL6716683 0.79 ALOX5 (0.54) AOC3MTNR1AMTNR1BPTGESALOX5
SCHEMBL10648377 0.79 AOC3 (0.57) AOC3ACHEMTNR1AMTNR1BBMP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256201-B2 Selective estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-08-14 US disclosed
US-20050101584-A1 Selective estrogen receptor-beta ligands ASTRAZENECA AB (SE) 2005-05-12 US disclosed
EP-1341765-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-10 EP disclosed
WO-2002046164-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-06-13 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 (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-20050101584-A1 Selective estrogen receptor-beta ligands ESR2, ESRRA, ESRRB AOC3 3606/4885ACHE 1274/4885MTNR1A 222/4885

“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.