SCHEMBL344795

SCHEMBL344795

CC(C)OC(=O)COc1cccc(NC(=O)c2cccc3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
BRAF P15056 1/20 0.53
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.47
DEGS1 O15121 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
HCRTR1 O43613 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL345155 0.89 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL15417050 0.88 KDR (0.51) KMT2AMEN1BRAFALDH1A1CYP1A2
SCHEMBL15416998 0.86 KMT2A (0.45) KMT2AMEN1BRAFALDH1A1CYP1A2
SCHEMBL345300 0.85 THRB (0.53) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL344529 0.85 MAPK1 (0.68) KMT2AMEN1BRAFALDH1A1MAPK1
SCHEMBL344104 0.84 THRB (0.44) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL344686 0.84 PPARA (0.47) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL345689 0.84 HCRTR1 (0.44) KMT2AMEN1BRAFALDH1A1CYP1A2
SCHEMBL344807 0.83 PPARA (0.48) KMT2AMEN1
SCHEMBL343323 0.83 PPARA (0.48) KMT2AMEN1

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 KMT2A 2318/4885MEN1 1838/4885BRAF 3360/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 KMT2A 2318/4885MEN1 1838/4885BRAF 3360/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 KMT2A 2318/4885MEN1 1838/4885BRAF 3360/4885

“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.