SCHEMBL344995

SCHEMBL344995

CCCCCCc1cnc2c(C(=O)Nc3cccc(OCC(=O)OC(C)C)c3)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.45
PPARG P37231 2/20 0.45
PLK1 P53350 1/20 0.44
TRPV1 Q8NER1 4/20 0.42
THRB P10828 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MDH1 P40925 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL345378 0.97 THRB (0.43) PPARAPPARGPLK1TRPV1THRB
SCHEMBL344536 0.90 PPARA (0.55) PPARAPPARGPLK1TRPV1THRB
SCHEMBL344805 0.88 PPARA (0.48) PPARAPPARGPLK1TRPV1THRB
SCHEMBL343323 0.86 PPARA (0.48) PPARAPPARGPLK1TRPV1THRB
SCHEMBL344807 0.86 PPARA (0.48) PPARAPPARGPLK1TRPV1THRB
SCHEMBL343945 0.86 MAPK1 (0.50) PPARAPPARGPLK1TRPV1THRB
SCHEMBL344686 0.85 PPARA (0.47) PPARAPPARGPLK1THRBPSEN1
SCHEMBL344104 0.82 THRB (0.44) PPARAPPARGPLK1TRPV1THRB
SCHEMBL15416998 0.79 KMT2A (0.45) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL345300 0.78 THRB (0.53) THRBPSEN1PSEN2APH1BNCSTN

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 8 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-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-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 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.