SCHEMBL1928563

SCHEMBL1928563

CC(=O)Cc1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.71
MAOA P21397 4/20 0.71
NR4A2 P43354 1/20 0.64
APP P05067 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HRH3 Q9Y5N1 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
FFAR1 O14842 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL3498840 0.85 NR4A2 (0.71) MAOBMAOANR4A2APPNPC1
SCHEMBL68570 0.85 ALOX5 (0.69) MAOBNR4A2NPC1RAB9AALDH1A1
SCHEMBL2367221 0.84 POLB (0.56) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL6295262 0.84 NPC1 (0.70) MAOBMAOANR4A2APPNPC1
SCHEMBL9627289 0.84 MAOB (0.68) MAOBMAOANR4A2APPNPC1
SCHEMBL48823 0.84 L3MBTL1 (0.55) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL9778577 0.83 MAOB (1.00) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL27589283 0.83 MAOB (0.71) MAOBMAOANR4A2APPNPC1
SCHEMBL9632286 0.82 MAOB (0.53) MAOBMAOARAB9AALDH1A1MAPT
Ethylene SCHEMBL11248134 0.82 ALOX5 (0.66) MAOBNR4A2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
US-4329367-A ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1982-05-11 US 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 MAOB 577/4885MAOA 1381/4885NR4A2 814/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 MAOB 852/4885MAOA 1534/4885NR4A2 894/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 MAOB 577/4885MAOA 1381/4885NR4A2 814/4885

“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.