SCHEMBL201063

SCHEMBL201063

CCC(=O)c1cc(O)cc(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.54
GABRB2 P47870 3/20 0.54
ADORA3 P0DMS8 7/20 0.52
ADORA1 P30542 6/20 0.52
ADORA2A P29274 2/20 0.52
ADORA2B P29275 1/20 0.52
ATM Q13315 1/20 0.51
HPGD P15428 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ERN1 O75460 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL6605916 0.83 GABRA1 (0.62) GABRA1GABRB2ADORA3ADORA1ADORA2A
SCHEMBL200964 0.82 GABRA1 (0.54) GABRA1GABRB2ADORA3ADORA1ADORA2A
SCHEMBL2260576 0.82 CHEK2 (0.53) GABRA1GABRB2ADORA3ADORA1ADORA2A
SCHEMBL2259263 0.81 GABRA1 (0.53) GABRA1GABRB2ADORA3ADORA1ADORA2A
SCHEMBL201497 0.81 ADORA1 (0.49) GABRA1GABRB2ADORA3ADORA1ADORA2A
SCHEMBL13658040 0.80 RAB9A (0.54) GABRA1GABRB2ADORA3ADORA1ADORA2A
SCHEMBL1690034 0.79 CYP3A4 (0.61) GABRA1GABRB2ADORA3ADORA1CYP3A4
SCHEMBL2262407 0.78 GABRA1 (0.44) GABRA1GABRB2ADORA3ADORA1ADORA2A
SCHEMBL2260449 0.78 NPC1 (0.57) GABRA1GABRB2ADORA3ADORA1ADORA2A
SCHEMBL2262389 0.78 AKR1C4 (0.48) GABRA1GABRB2ADORA3ADORA1ADORA2A

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 GABRA1 1478/4885GABRB2 1131/4885ADORA3 1120/4885

“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.