SCHEMBL4776494

SCHEMBL4776494

CNC(=O)C(C=Cc1ccc(OC(C)C)c(Cl)c1)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.54
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
NOS2 P35228 1/20 0.41
KIFC1 Q9BW19 1/20 0.41
RORC P51449 1/20 0.40
MMP1 P03956 1/20 0.40
AKR1C3 P42330 1/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
MME P08473 3/20 0.39
ACE P12821 3/20 0.39
CPA1 P15085 3/20 0.39
ACE2 Q9BYF1 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 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
SCHEMBL4776495 1.00 CENPE (0.54) CENPEMEN1KMT2AS1PR1S1PR3
SCHEMBL4776493 1.00 CENPE (0.54) CENPEMEN1KMT2AS1PR1S1PR3
SCHEMBL4777487 0.87 PPARG (0.43) CENPEMEN1KMT2AS1PR1S1PR3
SCHEMBL2617311 0.71 CENPE (0.89) CENPEKIFC1TP53L3MBTL1P2RX3
SCHEMBL2617307 0.71 CENPE (0.63) CENPEMEN1KMT2AS1PR1S1PR3
SCHEMBL2617308 0.69 CENPE (0.64) CENPEMEN1KMT2AS1PR1S1PR3
SCHEMBL2617225 0.69 CENPE (0.63) CENPEMEN1KMT2AS1PR1S1PR3
SCHEMBL2617145 0.69 CENPE (0.82) CENPEKIFC1MMP1MMEACE
SCHEMBL2617141 0.69 CENPE (0.86) CENPEMEN1KMT2AKIFC1RORC
SCHEMBL2617210 0.68 CENPE (0.80) CENPEKMT2AKIFC1RORCTP53

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 3 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 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 CENPE 54/4885MEN1 1302/4885KMT2A 1501/4885

“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.