SCHEMBL344686

SCHEMBL344686

CCCCCc1ccc2c(C(=O)Nc3cccc(OCC(=O)OC(C)C)c3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.47
PPARG P37231 2/20 0.47
PLK1 P53350 1/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
THRB P10828 1/20 0.44
MDH1 P40925 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDR P35968 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H4 Q96RI1 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
SCHEMBL344807 0.99 PPARA (0.48) PPARAPPARGPLK1PSEN1PSEN2
SCHEMBL343323 0.99 PPARA (0.48) PPARAPPARGPLK1PSEN1PSEN2
SCHEMBL344104 0.97 THRB (0.44) PPARAPPARGPLK1PSEN1PSEN2
SCHEMBL15416998 0.94 KMT2A (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15417050 0.90 KDR (0.51) KMT2AMEN1KDRALDH1A1CYP1A2
SCHEMBL345300 0.89 THRB (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL345673 0.89 PPARA (0.58) PPARAPPARGPLK1PSEN1PSEN2
SCHEMBL344565 0.88 PPARA (0.60) PPARAPPARGPLK1PSEN1PSEN2
SCHEMBL345013 0.88 PPARA (0.60) PPARAPPARGPLK1PSEN1PSEN2
SCHEMBL343814 0.86 PPARA (0.54) PPARAPPARGPLK1THRBMDH1

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 664/4885PPARG 558/4885PLK1 1753/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PPARA 664/4885PPARG 558/4885PLK1 1753/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PPARA 664/4885PPARG 558/4885PLK1 1753/4885

“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.