SCHEMBL5042822

SCHEMBL5042822

Cc1cc(O)ccc1COCCn1ccnn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.33
PDGFRB P09619 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
BRD4 O60885 1/20 0.33
MITF O75030 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR1 P32246 1/20 0.32
CCR2 P41597 1/20 0.32
CCR4 P51679 1/20 0.32
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
DPP4 P27487 1/20 0.32
CYP19A1 P11511 3/20 0.32
FGFR1 P11362 2/20 0.31
FLT1 P17948 2/20 0.31
FGFR2 P21802 2/20 0.31
FGFR4 P22455 2/20 0.31
FGFR3 P22607 2/20 0.31
FLT4 P35916 2/20 0.31

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
SCHEMBL5046467 0.84 DPP4 (0.42) KDRPDGFRBKDM4ENPC1BRD4
SCHEMBL4599537 0.80 TYR (0.37) KDRPDGFRBKDM4ECCR1CCR2
SCHEMBL5049275 0.79 GAA (0.37) KDM4ECYP19A1FGFR1MEN1ALDH1A1
SCHEMBL4606260 0.78 PDGFRB (0.33) KDRPDGFRBCCR1CCR2CCR4
SCHEMBL4592205 0.77 CYP19A1 (0.44) ESR1ESR2CYP19A1
SCHEMBL10976644 0.73 PDGFRB (0.35) KDRPDGFRBCCR1CCR2CCR4
SCHEMBL4509283 0.72 HDAC1 (0.35) KDM4ENPC1BRD4MITFL3MBTL1
SCHEMBL9834056 0.71 CYP19A1 (0.41) KDRPDGFRBDPP4CYP19A1FGFR1
SCHEMBL4782373 0.69 HTT (0.41) KDRPDGFRBNPC1MEN1ALDH1A1
SCHEMBL14723024 0.68 CYP19A1 (0.36) KDRPDGFRBKDM4EDPP4CYP19A1

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-7432291-B2 Ether derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US disclosed
EP-1727815-B1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-06-27 EP disclosed
CN-1930154-A Ether derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1727815-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP disclosed
WO-2005090338-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 WO disclosed
US-20050209290-A1 Novel ether derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-09-22 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-20050209290-A1 Novel ether derivatives CYP2E1, CYP11B1, CYP11B2 KDR 2461/4885PDGFRB 4181/4885KDM4E 1088/4885

“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.