SCHEMBL5206057

SCHEMBL5206057

COc1ccc(COC2CCc3cc(Br)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
STS P08842 1/20 0.40
SLC6A4 P31645 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
CYP26A1 O43174 2/20 0.38
CYP24A1 Q07973 1/20 0.38
BRD4 O60885 1/20 0.38
PPARD Q03181 1/20 0.37
GRIN2C Q14957 1/20 0.37
PTGER1 P34995 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 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
SCHEMBL20241215 0.91 BRD4 (0.43) MAOBKDM1AMAOACYP26A1CYP24A1
SCHEMBL30112223 0.84 BRD4 (0.48) MAOBSLC6A4BRD4CA1CA2
SCHEMBL31377693 0.80 SLC6A4 (0.41) MAOBSLC6A4MAOABRD4
SCHEMBL28620218 0.78 CYP26A1 (0.43) STSCYP26A1CYP24A1BRD4MAPT
SCHEMBL22516964 0.76 SLC6A4 (0.43) SLC6A4MEN1MAPTKMT2AHSD17B10
SCHEMBL25694 0.76 SLC6A4 (0.47) SLC6A4KDM1A
SCHEMBL18322124 0.75 NPC1 (0.48) CYP26A1CYP24A1BRD4NPC1RAB9A
SCHEMBL1530209 0.74 PPARD (0.45) PPARDMEN1NPC1GAAMAPT
SCHEMBL24495756 0.72 SLC6A4 (0.40) SLC6A4
SCHEMBL1530289 0.72 APLNR (0.51) CYP26A1CYP24A1PPARDL3MBTL1LMNA

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
EP-1819670-B1 12-ARYL PROSTAGLANDIN ANALOGS ALLERGAN INC (US) 2012-08-08 EP disclosed
EP-1819670-A1 12-ARYL PROSTAGLANDIN ANALOGS Allergan, Inc. (US) 2007-08-22 EP disclosed
US-7091231-B2 12-Aryl prostaglandin analogs ALLERGAN, INC. (US) 2006-08-15 US disclosed
US-20060148894-A1 Z)-7-{(1R,2S,3R)-2-[4-(Cyclohexyl-hydroxy-methyl)-phenyl]-3-hydroxy-5-oxo cyclopentyl}-hept-5-enoic acid methyl ester; treating vision defects ALLERGAN, INC. (US) 2006-07-06 US disclosed
WO-2006063179-A1 12-ARYL PROSTAGLANDIN ANALOGS ALLERGAN, INC. (US) 2006-06-15 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-20060148894-A1 Z)-7-{(1R,2S,3R)-2-[4-(Cyclohexyl-hydroxy-methyl)-phenyl]-3-hydroxy-5-oxo cyclopentyl}-hept-5-enoic acid methyl ester; treating vision defects ALOX5, PTGER2, PTGER1 MAOB 1378/4885STS 3189/4885SLC6A4 3019/4885

“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.