SCHEMBL343945

SCHEMBL343945

CCCCc1cnc2c(C(=O)Nc3cccc(OCC(=O)O)c3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
THRB P10828 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
NR1H4 Q96RI1 3/20 0.43
PARP1 P09874 1/20 0.43
LMNA P02545 1/20 0.42
PTGIR P43119 1/20 0.42
NR3C1 P04150 1/20 0.42
MDH1 P40925 1/20 0.42
PLK1 P53350 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 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
SCHEMBL344536 0.96 PPARA (0.55) MAPK1PPARAPPARGPKMHTT
SCHEMBL345378 0.89 THRB (0.43) PPARAPPARGTHRBTRPV1NR1H4
SCHEMBL344995 0.86 PPARA (0.45) PPARAPPARGTHRBTRPV1NR1H4
SCHEMBL343814 0.85 PPARA (0.54) MAPK1PPARAPPARGPKMHTT
SCHEMBL344805 0.84 PPARA (0.48) PPARAPPARGTHRBTRPV1NR1H4
SCHEMBL345673 0.82 PPARA (0.58) MAPK1PPARAPPARGPKMHTT
SCHEMBL344565 0.81 PPARA (0.60) MAPK1PPARAPPARGPKMHTT
SCHEMBL345013 0.81 PPARA (0.60) MAPK1PPARAPPARGPKMHTT
SCHEMBL345252 0.79 MAPK1 (0.54) MAPK1PPARAPPARGPKMHTT
SCHEMBL344417 0.77 PARP1 (0.58) PPARAPKMPARP1LMNAMEN1

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 15 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-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
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-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 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-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 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
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 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 621/4885PPARA 664/4885PPARG 558/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MAPK1 621/4885PPARA 664/4885PPARG 558/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MAPK1 621/4885PPARA 664/4885PPARG 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.