SCHEMBL4151070

SCHEMBL4151070

CCOC(=O)c1cc(C2=C(Br)CCC2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TSHR P16473 4/20 0.39
TP53 P04637 1/20 0.39
JMJD6 Q6NYC1 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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) NPC1RAB9AATMCASP3SENP8
SCHEMBL5620232 0.85 ALDH1A1 (0.47) NPC1RAB9AATMCASP3SENP8
SCHEMBL5621506 0.79 CA12 (0.50) NPC1RAB9AHPGDKDM4ESMN1; SMN2
SCHEMBL4159104 0.78 GRM7 (0.40) NPC1RAB9AATMCASP3SENP8
SCHEMBL4162371 0.77 GALR1 (0.52) NPC1RAB9ATSHRTP53HPGD
SCHEMBL4153413 0.76 KDM4E (0.39) NPC1RAB9AATMCASP3SENP8
SCHEMBL13696740 0.76 CYP2C9 (0.43) NPC1RAB9AATMCASP3SENP8
SCHEMBL4147738 0.76 CA12 (0.41) NPC1RAB9AATMCASP3SENP8
SCHEMBL4159402 0.75 FFAR4 (0.43) NPC1RAB9AATMCASP3SENP8
SCHEMBL961701 0.75 ALDH1A1 (0.52) TSHRTP53JMJD6HPGDSMN1; SMN2

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 5 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
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
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 NPC1 474/4885RAB9A 108/4885ATM 4217/4885

“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.