SCHEMBL4775432

SCHEMBL4775432

CCCOc1ccc(C(O)CN(CCO)Cc2ccc(OCc3ccccc3)cc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
BCHE P06276 4/20 0.44
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.41
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 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
SCHEMBL4775430 0.88 ALDH1A1 (0.44) ALDH1A1MAPTGAAMAPK1BCHE
SCHEMBL14421597 0.81 ALDH1A1 (0.41) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL5570353 0.79 BCHE (0.51) MAPK1BCHEPOLBMEN1KMT2A
SCHEMBL4904834 0.75 MEN1 (0.47) MAPK1BCHEPOLBMEN1KMT2A
SCHEMBL4884258 0.73 CSNK2A1 (0.55) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL5569180 0.72 ALOX5 (0.46) FFAR1
SCHEMBL7606235 0.72 NPC1 (0.40) MEN1KMT2A
SCHEMBL7608453 0.72 ALOX5 (0.40) ALDH1A1MAPTGAAMAPK1BCHE
SCHEMBL7527737 0.72 POLB (0.43) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL7621987 0.72 POLB (0.43) ALDH1A1MAPTGAAMAPK1TSHR

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 4 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
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 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 (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 2159/4885MAPT 294/4885GAA 466/4885

“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.