SCHEMBL345982

SCHEMBL345982

CCCCc1ccc2c(C(=O)Nc3cccc(OCC(=O)OCCO)c3)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
LMNA P02545 1/20 0.44
NR1H4 Q96RI1 3/20 0.43
FAAH O00519 1/20 0.43
KDR P35968 1/20 0.42
MDH1 P40925 2/20 0.42
PLK1 P53350 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
NR3C1 P04150 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
SCHEMBL344104 0.88 THRB (0.44) THRBPPARAPPARGLMNANR1H4
SCHEMBL343814 0.87 PPARA (0.54) THRBPPARAPPARGLMNANR1H4
SCHEMBL10031666 0.85 ALDH1A1 (0.53) THRBLMNAKDRALDH1A1CYP1A2
SCHEMBL344686 0.85 PPARA (0.47) THRBPPARAPPARGLMNANR1H4
SCHEMBL345185 0.85 THRB (0.45) THRBLMNANR1H4FAAHKDR
SCHEMBL345673 0.84 PPARA (0.58) THRBPPARAPPARGNR1H4KDR
SCHEMBL344807 0.84 PPARA (0.48) THRBPPARAPPARGKDRMDH1
SCHEMBL343323 0.84 PPARA (0.48) THRBPPARAPPARGKDRMDH1
SCHEMBL344565 0.84 PPARA (0.60) THRBPPARAPPARGNR1H4MDH1
SCHEMBL345013 0.84 PPARA (0.60) THRBPPARAPPARGNR1H4MDH1

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 THRB 3768/4885PPARA 664/4885PPARG 558/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 THRB 3768/4885PPARA 664/4885PPARG 558/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 THRB 3768/4885PPARA 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.