SCHEMBL630698

SCHEMBL630698

O=C(OCc1ccccc1)c1cc2cc(OCc3ccccc3)ccc2cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
HSP90AA1 P07900 1/20 0.57
KMT2A Q03164 1/20 0.57
ALOX5 P09917 1/20 0.56
MAOB P27338 2/20 0.55
SLC16A3 O15427 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SRD5A2 P31213 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
HTT P42858 1/20 0.48
EGLN1 Q9GZT9 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL13278206 0.92 ALDH1A1 (0.55) MEN1HSP90AA1KMT2AALOX5MAOB
SCHEMBL29376294 0.91 HDAC8 (0.52) MEN1HSP90AA1KMT2AMAOBALDH1A1
SCHEMBL2996551 0.91 HDAC8 (0.52) MEN1HSP90AA1KMT2AMAOBALDH1A1
SCHEMBL7947263 0.90 TDP1 (0.51) MEN1HSP90AA1KMT2AMAOBALDH1A1
SCHEMBL29375287 0.88 PTGES (0.49) MEN1HSP90AA1KMT2AMAOBSLC16A3
SCHEMBL22412359 0.88 PTGES (0.49) MEN1HSP90AA1KMT2AMAOBSLC16A3
SCHEMBL629641 0.87 SLC16A3 (0.62) MEN1HSP90AA1KMT2AALOX5MAOB
SCHEMBL31336015 0.86 MAOB (0.58) MEN1HSP90AA1KMT2AALOX5MAOB
SCHEMBL4943007 0.86 MAOB (0.58) MEN1HSP90AA1KMT2AALOX5MAOB
SCHEMBL23809724 0.85 ALDH1A1 (0.62) MEN1KMT2AALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC MEN1 4331/4885HSP90AA1 2838/4885KMT2A 1641/4885

“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.