SCHEMBL4775430

SCHEMBL4775430

CC(C)Oc1ccc(C(O)CN(CCO)Cc2ccc(OCc3ccccc3)cc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 3/20 0.40
POLB P06746 1/20 0.40
KCNH2 Q12809 1/20 0.39
FFAR1 O14842 1/20 0.38
ALOX5 P09917 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL4775432 0.88 ALDH1A1 (0.46) ALDH1A1GAAMAPTMAPK1TSHR
SCHEMBL14421597 0.87 ALDH1A1 (0.41) ALDH1A1GAAMAPTMAPK1TSHR
SCHEMBL4837138 0.83 BCHE (0.42) L3MBTL1BCHEALOX5PTGS1PTGS2
SCHEMBL5570351 0.78 BCHE (0.55) MAPK1BCHEPOLB
SCHEMBL2104742 0.77 CENPE (0.46) ALDH1A1MAPTL3MBTL1ALOX5PTGS1
SCHEMBL7608453 0.72 ALOX5 (0.40) ALDH1A1GAAMAPTMAPK1L3MBTL1
SCHEMBL5569175 0.72 ALOX5 (0.47) FFAR1ALOX5
SCHEMBL7527737 0.72 POLB (0.43) ALDH1A1GAAMAPTMAPK1TSHR
SCHEMBL7621987 0.72 POLB (0.43) ALDH1A1GAAMAPTMAPK1TSHR
SCHEMBL11472736 0.72 BCHE (0.60) BCHEFFAR1ALOX5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US claimed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US disclosed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US disclosed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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 (1 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-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885GAA 466/4885MAPT 294/4885

“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.