SCHEMBL551186

SCHEMBL551186

OC[C@@H](O)[C@H](O)COc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
RECQL P46063 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP2D6 P10635 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
SCN4A P35499 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
HIF1A Q16665 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL9564637 0.91 LMNA (0.68) LMNARECQLALDH1A1CYP2D6L3MBTL1
SCHEMBL978754 0.88 LMNA (0.55) LMNARECQLALDH1A1CYP2D6L3MBTL1
SCHEMBL167129 0.81 LMNA (0.52) LMNARECQLALDH1A1CYP2D6L3MBTL1
SCHEMBL10476983 0.81 LMNA (0.52) LMNARECQLALDH1A1CYP2D6L3MBTL1
SCHEMBL6395059 0.81 LMNA (0.52) LMNARECQLALDH1A1CYP2D6L3MBTL1
SCHEMBL117951 0.81 TSHR (0.62) LMNARECQLCYP2D6L3MBTL1ADRB2
SCHEMBL6480727 0.81 TSHR (0.62) LMNARECQLCYP2D6L3MBTL1ADRB2
SCHEMBL4619478 0.81 TSHR (0.62) LMNARECQLCYP2D6L3MBTL1ADRB2
SCHEMBL27635301 0.80 TSHR (0.41) LMNARECQLALDH1A1MAPTTSHR
SCHEMBL8187180 0.79 LMNA (0.70) LMNAALDH1A1CYP2D6L3MBTL1ADRB2

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-1945651-B1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF LUDWIG INST CANCER RES (US) 2014-06-25 EP disclosed
US-8334408-B2 Analogs of alpha galactosylceramide and uses thereof LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2012-12-18 US disclosed
US-20120269857-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH 2012-10-25 US disclosed
CN-101331146-B Analogs of alpha galactosylceramide and uses thereof LUDWIG INST CANCER RES 2012-06-13 CN disclosed
US-8188313-B2 Analogs of alpha galactosylceramide and uses thereof THE UNIVERSITY OF BIRMINGHAM (GB) 2012-05-29 US disclosed
US-20120034269-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF CERUNDOLO VINCENZO (GB) 2012-02-09 US disclosed
US-8039670-B2 Analogs of alpha galactosyceramide and uses thereof LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2011-10-18 US disclosed
US-20090239813-A1 Analogs of Alpha Galactosyceramide and Uses thereof LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2009-09-24 US disclosed
CN-101331146-A Analogs of alpha galactosylceramide and uses thereof LUDWIG INST CANCER RES (US) 2008-12-24 CN disclosed
EP-1945651-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF The Ludwig Institute for Cancer Research (US) 2008-07-23 EP disclosed
WO-2007050668-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2007-05-03 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 (3 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-20090239813-A1 Analogs of Alpha Galactosyceramide and Uses thereof SGMS1, CERS2, SGMS2 LMNA 1780/4885RECQL 2538/4885ALDH1A1 1362/4885
US-20120034269-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF UGCG, CD69, GALC LMNA 2398/4885RECQL 4802/4885ALDH1A1 2446/4885
US-20120269857-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF UGCG, GALC, CD69 LMNA 2195/4885RECQL 4800/4885ALDH1A1 2622/4885

“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.