SCHEMBL367806

SCHEMBL367806

CCCCCOc1ccc2c(Nc3cccc(OCC(=O)O)c3)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 4/20 0.57
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
THRB P10828 1/20 0.47
NR1H4 Q96RI1 3/20 0.47
MTNR1A P48039 2/20 0.45
PTPN7 P35236 1/20 0.45
TSHR P16473 1/20 0.45
PSEN1 P49768 4/20 0.44
PSEN2 P49810 4/20 0.44
APH1B Q8WW43 4/20 0.44
NCSTN Q92542 4/20 0.44
APH1A Q96BI3 4/20 0.44
PSENEN Q9NZ42 4/20 0.44
SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL12503324 0.88 PPARA (0.60) PLA2G4BPPARGPPARATSHRPSEN1
SCHEMBL1697010 0.87 PPARA (0.56) PLA2G4BPPARGPPARAMTNR1ATSHR
SCHEMBL368053 0.85 PPARA (0.44) PLA2G4BPPARGPPARATSHRPSEN1
SCHEMBL370943 0.84 PPARA (0.49) PPARGPPARAMTNR1APSEN1PSEN2
SCHEMBL343934 0.84 THRB (0.56) PLA2G4BTHRBNR1H4
SCHEMBL12503223 0.81 MAPK1 (0.42) PPARGPPARANR1H4MTNR1ATSHR
SCHEMBL5434776 0.76 PLA2G4B (0.81) PLA2G4BPPARGPPARAPTPN7TSHR
SCHEMBL15427588 0.75 THRB (0.55) THRBNR1H4PSEN1PSEN2APH1B
SCHEMBL371036 0.75 PSEN1 (0.44) PPARGPPARATHRBNR1H4TSHR
SCHEMBL15427384 0.74 THRB (0.60) THRBNR1H4

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-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 (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-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PLA2G4B 701/4885PPARG 558/4885PPARA 664/4885

“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.