SCHEMBL3679262

SCHEMBL3679262

C=CCCNCCCCCCOc1ccc(C(=O)c2ccccc2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.46
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
LSS P48449 2/20 0.42
ELANE P08246 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3671618 0.91 KDM4E (0.43) KDM4ELMNAPOLBALDH1A1GAA
SCHEMBL3682282 0.91 KDM4E (0.53) KDM4ELMNAPOLBALDH1A1KMT2A
SCHEMBL9360025 0.87 KDM4E (0.53) KDM4ELMNAALDH1A1GAAKMT2A
SCHEMBL9553332 0.85 KDM4E (0.47) KDM4ELMNAPOLBALDH1A1KMT2A
SCHEMBL9364402 0.83 LSS (0.59) KDM4ELMNAPPARAALDH1A1GAA
SCHEMBL8045891 0.80 KDM4E (0.48) KDM4ELMNAALDH1A1GAAKMT2A
SCHEMBL9553073 0.79 PPARA (0.51) KDM4ELMNAPOLBPPARAPPARG
SCHEMBL8046599 0.79 PPARA (0.51) KDM4ELMNAPOLBPPARAPPARG
SCHEMBL3679260 0.78 LSS (0.71) KMT2ALSSMEN1
SCHEMBL8035731 0.78 KDM4E (0.47) KDM4ELMNAALDH1A1KMT2ALSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP claimed
EP-0410359-B1 Substituted aminoalkoxy-benzene-derivatives HOFFMANN LA ROCHE (CH) 1994-01-26 EP claimed
JP-7053479-A None JP disclosed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
JP-H0753479-A USE OF PHENALKYL AMINE F HOFFMANN LA ROCHE AG 1995-02-28 JP disclosed
US-5214046-A Synergistic mixtures, inhibitors of sterol biosynthesis HOFFMANN-LA ROCHE INC. (US) 1993-05-25 US disclosed
US-5106878-A Synergistic effects with other fungicides HOFFMANN-LA ROCHE INC. (US) 1992-04-21 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-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 KDM4E 731/4885LMNA 340/4885POLB 219/4885

“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.