SCHEMBL5620232

SCHEMBL5620232

CCOC(=O)c1cc(C2=C(Br)CCC2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 5/20 0.47
MAPT P10636 8/20 0.43
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
KDM4E B2RXH2 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RECQL P46063 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 4/20 0.41

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
SCHEMBL4158470 0.87 NPC1 (0.44) ALDH1A1HSD17B10MAPTRAB9ANPC1
SCHEMBL4151070 0.85 NPC1 (0.42) ALDH1A1HSD17B10MAPTRAB9ANPC1
SCHEMBL9073929 0.81 ALDH1A1 (0.64) ALDH1A1HSD17B10MAPTRAB9ANPC1
SCHEMBL5621506 0.79 CA12 (0.50) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL4162371 0.77 GALR1 (0.52) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4155667 0.76 NPC1 (0.47) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL31189997 0.75 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPTRAB9ANPC1
SCHEMBL1187777 0.75 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPTRAB9ANPC1
SCHEMBL31570114 0.74 ALDH1A1 (0.64) ALDH1A1HSD17B10MAPTRAB9ANPC1
SCHEMBL5620048 0.73 CA12 (0.43) RAB9ANPC1MEN1KMT2ACYP1A2

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-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 US disclosed
US-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2005-10-27 US disclosed
EP-1492757-A1 (2-((2-ALKOXY)-PHENYL)-CYCLOPENT-1-ENYL) AROMATIC CARBO- AND HETEROCYCLIC CARBOXYLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003084917-A1 (2-((2-ALKOXY) -PHENYL) -CYCLOPENT-1-ENYL) AROMATIC CARBO AND HETEROCYCLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-16 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-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives CYP2C9, CYP2C19, CNR1 ALDH1A1 586/4885HSD17B10 1892/4885MAPT 3958/4885

“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.