SCHEMBL344101

SCHEMBL344101

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
PTGIR P43119 1/20 0.45
THRB P10828 1/20 0.44
NR1H4 Q96RI1 2/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CASP1 P29466 2/20 0.42
HCRTR1 O43613 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BACE1 P56817 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G4B P0C869 1/20 0.41

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
SCHEMBL10031663 1.00 MAPK1 (0.48) MAPK1PKMHTTPTGIRTHRB
SCHEMBL10031664 0.94 MAPK1 (0.50) MAPK1PKMHTTTHRBCASP1
SCHEMBL345153 0.94 MAPK1 (0.50) MAPK1PKMHTTTHRBCASP1
SCHEMBL344550 0.90 PSEN1 (0.43) MAPK1THRBNR1H4HCRTR1TDP1
SCHEMBL345185 0.88 THRB (0.45) THRBNR1H4HCRTR1TDP1MEN1
SCHEMBL343934 0.86 THRB (0.56) MAPK1PKMHTTTHRBNR1H4
SCHEMBL368053 0.85 PPARA (0.44) MAPK1PKMHTTPTGIRPPARG
SCHEMBL345689 0.85 HCRTR1 (0.44) MAPK1HTTTHRBHCRTR1TDP1
SCHEMBL345673 0.84 PPARA (0.58) MAPK1PKMHTTPTGIRTHRB
SCHEMBL344565 0.83 PPARA (0.60) MAPK1PKMHTTPTGIRTHRB

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-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

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 MAPK1 621/4885PKM 3946/4885HTT 1286/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MAPK1 621/4885PKM 3946/4885HTT 1286/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MAPK1 621/4885PKM 3946/4885HTT 1286/4885

“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.