SCHEMBL3671618

SCHEMBL3671618

C=CCCNCCCCCCOc1ccc(C(=O)c2ccc(I)cc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.43
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.40
THRB P10828 2/20 0.39
THRA P10827 1/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3679262 0.91 KDM4E (0.46) KDM4ELMNAALDH1A1THRBGAA
SCHEMBL3682282 0.90 KDM4E (0.53) KDM4ELMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL9553332 0.84 KDM4E (0.47) KDM4ELMNAALDH1A1THRBMAPT
SCHEMBL8902445 0.80 THRA (0.46) KDM4ELMNAALDH1A1THRBTHRA
SCHEMBL8045891 0.79 KDM4E (0.48) KDM4ELMNAALDH1A1THRBTHRA
SCHEMBL3671613 0.78 LSS (0.58) THRBTHRAKMT2AMEN1
SCHEMBL9360025 0.78 KDM4E (0.53) KDM4ELMNAALDH1A1THRBTHRA
SCHEMBL8035731 0.77 KDM4E (0.47) KDM4ELMNAALDH1A1THRBTHRA
SCHEMBL9553464 0.76 ALDH1A1 (0.46) KDM4EALDH1A1GAA
SCHEMBL8940362 0.75 ALDH1A1 (0.55) LMNAALDH1A1THRBTHRAGAA

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 5 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
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-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 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 340/4885ALDH1A1 1588/4885

“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.