SCHEMBL5408871

SCHEMBL5408871

CCOC(=O)[C@@](C)(CCc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
LTA4H P09960 1/20 0.44
PPARG P37231 1/20 0.43
ALOX5 P09917 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCL2 P10415 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL5408886 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL7617244 0.92 NPC1 (0.50) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3108951 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1563297 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3123631 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4817662 0.81 FFAR1 (0.50) KDM4EMEN1MAPTKMT2AFFAR1
SCHEMBL5398125 0.81 PTPRB (0.44) ALDH1A1MEN1KMT2ARECQL
SCHEMBL7707990 0.81 CYP2D6 (0.48) ALDH1A1FFAR1LTB4RLTB4R2PPARG
SCHEMBL7614623 0.81 FFAR1 (0.49) FFAR1LTA4HPPARG
SCHEMBL7714028 0.81 FFAR1 (0.55) ALDH1A1KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511473-B1 BIS-AROMATIC ALKANOLS NOVARTIS AG (CH) 2013-04-17 EP disclosed
US-7169817-B2 Bis-aromatic alkanols IRM LLC (BM) 2007-01-30 US disclosed
US-7169817-B2 Bis-aromatic alkanols IRM LLC (BM) 2007-01-30 US disclosed
US-7169817-B2 Bis-aromatic alkanols IRM LLC (BM) 2007-01-30 US disclosed
EP-1511473-A2 BIS-AROMATIC ALKANOLS Novartis AG (CH) 2005-03-09 EP disclosed
US-20040048857-A1 Treatment and/or prevention of diseases or disorders mediated by lymphocyte interactions. IRM LLC (BM) 2004-03-11 US disclosed
WO-2003099192-A2 BIS-AROMATIC ALKANOLS NOVARTIS AG (CH) 2003-12-04 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-20040048857-A1 Treatment and/or prevention of diseases or disorders mediated by lymphocyte interactions. CD4, HLA-DRB1, MALT1 ALDH1A1 1177/4885KDM4E 3701/4885MEN1 3381/4885

“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.