SCHEMBL345689

SCHEMBL345689

CCCC(O)c1ccc2c(C(=O)Nc3cccc(OCC(=O)OC(C)C)c3)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
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
LMNA P02545 1/20 0.41
KDR P35968 2/20 0.41
BACE1 P56817 1/20 0.40
THRB P10828 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
BRAF P15056 1/20 0.39

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 0.95 PSEN1 (0.43) HCRTR1TDP1KMT2AMEN1ALDH1A1
SCHEMBL345153 0.90 MAPK1 (0.50) HCRTR1TDP1KMT2AMEN1ALDH1A1
SCHEMBL10031664 0.90 MAPK1 (0.50) HCRTR1TDP1KMT2AMEN1ALDH1A1
SCHEMBL344101 0.85 MAPK1 (0.48) HCRTR1TDP1KMT2AMEN1BACE1
SCHEMBL10031663 0.85 MAPK1 (0.48) HCRTR1TDP1KMT2AMEN1BACE1
SCHEMBL15416998 0.84 KMT2A (0.45) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL15417050 0.84 KDR (0.51) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL345155 0.84 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL345185 0.84 THRB (0.45) HCRTR1TDP1KMT2AMEN1ALDH1A1
SCHEMBL344795 0.84 KMT2A (0.58) HCRTR1TDP1KMT2AMEN1ALDH1A1

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 5 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

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 HCRTR1 370/4885TDP1 2190/4885KMT2A 2318/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 HCRTR1 370/4885TDP1 2190/4885KMT2A 2318/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 HCRTR1 370/4885TDP1 2190/4885KMT2A 2318/4885

“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.