SCHEMBL4599334

SCHEMBL4599334

Cc1cc(OCc2cccc(-c3ccc(Cl)cc3)n2)ccc1CCCCn1ccnn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
FFAR1 O14842 3/20 0.38
ERBB2 P04626 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
PPARD Q03181 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4592884 0.92 FFAR1 (0.38) ATP4AATP4BFFAR1ERBB2MINK1
SCHEMBL4600359 0.89 PPARD (0.42) ATP4AATP4BFFAR1ERBB2MINK1
SCHEMBL4600629 0.89 ERBB2 (0.48) ATP4AATP4BFFAR1ERBB2MINK1
SCHEMBL4599860 0.88 ATP4A (0.37) ATP4AATP4BFFAR1ERBB2MINK1
SCHEMBL4599167 0.86 ERBB2 (0.47) ATP4AATP4BFFAR1ERBB2MINK1
SCHEMBL4599923 0.83 ATP4A (0.37) ATP4AATP4BERBB2MINK1NPC1
SCHEMBL4592031 0.81 PPARD (0.38) ATP4AATP4BFFAR1ERBB2MINK1
SCHEMBL4591853 0.79 ATP4A (0.37) ATP4AATP4BFFAR1ERBB2MINK1
SCHEMBL4780947 0.79 ATP4A (0.34) ATP4AATP4BERBB2MINK1PPARD
SCHEMBL4600170 0.78 ERBB2 (0.46) ATP4AATP4BFFAR1ERBB2MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US claimed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 CN claimed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP claimed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO claimed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 US claimed
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 CN disclosed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 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-20070032530-A1 Phenylpyridine derivatives CYP3A5, QDPR, DPYD ATP4A 583/4885ATP4B 688/4885FFAR1 2770/4885

“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.