SCHEMBL368053

SCHEMBL368053

CCCCCC(O)c1ccc2c(Nc3cccc(OCC(=O)O)c3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
PTGIR P43119 1/20 0.44
PPARG P37231 1/20 0.44
PLA2G4B P0C869 1/20 0.43
MAPK1 P28482 3/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX5 P09917 1/20 0.42
HPGD P15428 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL12503223 0.94 MAPK1 (0.42) PPARAPPARGMAPK1TP53CYP1A2
SCHEMBL371036 0.89 PSEN1 (0.44) PPARAPPARGMAPK1TP53CYP1A2
SCHEMBL1696933 0.85 PLA2G4B (0.40) PPARAPTGIRPPARGPLA2G4BMAPK1
SCHEMBL367806 0.85 PLA2G4B (0.57) PPARAPPARGPLA2G4BTSHRPSEN1
SCHEMBL344101 0.85 MAPK1 (0.48) PPARAPTGIRPPARGPLA2G4BMAPK1
SCHEMBL10031663 0.85 MAPK1 (0.48) PPARAPTGIRPPARGPLA2G4BMAPK1
SCHEMBL12503324 0.83 PPARA (0.60) PPARAPTGIRPPARGPLA2G4BMAPK1
SCHEMBL1697010 0.82 PPARA (0.56) PPARAPTGIRPPARGPLA2G4BMAPK1
SCHEMBL370943 0.80 PPARA (0.49) PPARAPPARGMAPK1LMNACTSV
SCHEMBL10031664 0.79 MAPK1 (0.50) MAPK1MEN1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
WO-2012003145-A2 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-05 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 (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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PPARA 664/4885PTGIR 1/4885PPARG 558/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PPARA 664/4885PTGIR 1/4885PPARG 558/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PPARA 664/4885PTGIR 1/4885PPARG 558/4885

“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.