SCHEMBL5513402

SCHEMBL5513402

COc1cccc(CCN(C(C)=O)c2cc(OC)ccc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.50
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
BMP1 P13497 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ACHE P22303 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TSPO P30536 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL5518178 0.83 AOC3 (0.54) AOC3MTNR1AMTNR1BBMP1TAAR1
SCHEMBL5519402 0.82 ACHE (0.57) AOC3MTNR1AMTNR1BTAAR1ACHE
SCHEMBL27572230 0.76 MEN1 (0.58) AOC3ALDH1A1SMN1; SMN2BMP1CHRM1
SCHEMBL10648377 0.76 AOC3 (0.57) AOC3ALDH1A1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL5515766 0.73 OPRM1 (0.53) AOC3ALDH1A1MTNR1AMTNR1BBMP1
SCHEMBL5515925 0.72 PTGES (0.53) AOC3TSHRACHE
SCHEMBL9416588 0.72 HSD17B2 (0.57) ALDH1A1SMN1; SMN2MTNR1AMTNR1BHDAC1
SCHEMBL3648866 0.72 ALOX5 (0.58) AOC3TSHRBMP1
SCHEMBL6715386 0.72 NPC1 (0.61) AOC3TSHRKDM4EHPGDACHE
SCHEMBL6417242 0.71 HSD17B2 (0.63) SMN1; SMN2MTNR1AMTNR1BHPGDACHE

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 3606/4885ALDH1A1 1692/4885TSHR 176/4885

“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.