SCHEMBL345185

SCHEMBL345185

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
NR1H4 Q96RI1 4/20 0.42
LMNA P02545 1/20 0.42
FAAH O00519 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HCRTR1 O43613 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDR P35968 1/20 0.38
NR3C1 P04150 1/20 0.38

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
SCHEMBL344550 0.89 PSEN1 (0.43) THRBNR1H4LMNAALDH1A1HCRTR1
SCHEMBL10031663 0.88 MAPK1 (0.48) THRBNR1H4HCRTR1TDP1KMT2A
SCHEMBL344101 0.88 MAPK1 (0.48) THRBNR1H4HCRTR1TDP1KMT2A
SCHEMBL345982 0.85 THRB (0.48) THRBNR1H4LMNAFAAHALDH1A1
SCHEMBL345689 0.84 HCRTR1 (0.44) THRBLMNAALDH1A1HCRTR1TDP1
SCHEMBL10031664 0.83 MAPK1 (0.50) THRBLMNAALDH1A1HCRTR1TDP1
SCHEMBL345153 0.83 MAPK1 (0.50) THRBLMNAALDH1A1HCRTR1TDP1
SCHEMBL10031666 0.82 ALDH1A1 (0.53) THRBLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL15427588 0.81 THRB (0.55) THRBNR1H4LMNAFAAHALDH1A1
SCHEMBL345300 0.80 THRB (0.53) THRBNR1H4LMNAFAAHALDH1A1

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 3768/4885NR1H4 273/4885LMNA 1956/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 THRB 3768/4885NR1H4 273/4885LMNA 1956/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 THRB 3768/4885NR1H4 273/4885LMNA 1956/4885

“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.