SCHEMBL4153413

SCHEMBL4153413

CCOC(=O)c1cc(C2=C(c3cc(Cl)c[nH]c3=O)CCC2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC6A4 P31645 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PTGER1 P34995 2/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.36
GCGR P47871 1/20 0.35
MAPT P10636 1/20 0.35
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
MEN1 O00255 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
SCHEMBL4155673 0.91 KDM4E (0.40) KDM4ESMN1; SMN2NPC1SLC6A2SLC6A3
SCHEMBL4158397 0.87 KDM4E (0.39) KDM4ENPC1SLC6A3CASP3RAB9A
SCHEMBL13696740 0.80 CYP2C9 (0.43) KDM4ESMN1; SMN2NPC1SLC6A2SLC6A3
SCHEMBL13697417 0.76 CYP2C9 (0.41) KDM4ESMN1; SMN2NPC1SLC6A2SLC6A3
SCHEMBL4168715 0.76 PTGER1 (0.41) KDM4ESMN1; SMN2NPC1CASP3RAB9A
SCHEMBL4151070 0.76 NPC1 (0.42) KDM4ESMN1; SMN2NPC1SLC6A2SLC6A3
SCHEMBL5620737 0.76 PTGER1 (0.67) PTGER1CYP2C9
SCHEMBL5620263 0.76 PTGER1 (0.62) PTGER1CYP2C9
SCHEMBL4162616 0.74 PTGER1 (0.41) KDM4ESMN1; SMN2NPC1CASP3RAB9A
SCHEMBL4149960 0.74 PTGER1 (0.42) KDM4ESMN1; SMN2NPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
EP-1670763-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037793-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B KDM4E 2449/4885SMN1; SMN2 3323/4885NPC1 474/4885

“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.