SCHEMBL202296

SCHEMBL202296

COc1ccc(COc2cc(C(=O)C(C)C)cc(-c3ccc4c(c3)OCO4)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.50
EDNRA P25101 2/20 0.50
PTGER4 P35408 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46
DYRK1A Q13627 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTB4R Q15722 1/20 0.44
AURKA O14965 1/20 0.44
CSNK1E P49674 1/20 0.44
GSK3A P49840 1/20 0.44

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
SCHEMBL200683 0.88 EDNRB (0.50) EDNRBEDNRAPTGER4RAB9ANPC1
SCHEMBL200613 0.87 EDNRA (0.49) EDNRBEDNRAPTGER4RAB9ANPC1
SCHEMBL203119 0.84 EDNRA (0.47) EDNRBEDNRAPTGER4RAB9ANPC1
SCHEMBL13175003 0.81 NPC1 (0.53) EDNRBEDNRAPTGER4RAB9ANPC1
SCHEMBL200797 0.80 NPC1 (0.50) EDNRBEDNRAPTGER4RAB9ANPC1
SCHEMBL2262693 0.79 MAOB (0.54) EDNRBEDNRAPTGER4RAB9ANPC1
SCHEMBL2262151 0.78 MEN1 (0.59) EDNRBEDNRAPTGER4RAB9ANPC1
SCHEMBL200964 0.76 GABRA1 (0.54) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2261371 0.75 MAOB (0.51) EDNRBEDNRAPTGER4RAB9ANPC1
SCHEMBL22386732 0.73 SMN1; SMN2 (0.69) RAB9ANPC1ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411358-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 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-20100240678-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S EDNRB 168/4885EDNRA 916/4885PTGER4 18/4885

“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.