SCHEMBL201497

SCHEMBL201497

O=C(c1cc(O)cc(-c2ccc3c(c2)OCO3)c1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.49
ADORA3 P0DMS8 6/20 0.49
ADORA2A P29274 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
CYP3A4 P08684 1/20 0.42
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
ADORA2B P29275 1/20 0.41
ERN1 O75460 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL200711 0.95 ADORA1 (0.51) ADORA1ADORA3ADORA2ANPC1RAB9A
SCHEMBL203119 0.83 EDNRA (0.47) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL2260576 0.82 CHEK2 (0.53) ADORA1ADORA3ADORA2ANPC1RAB9A
SCHEMBL201063 0.81 GABRA1 (0.54) ADORA1ADORA3ADORA2ANPC1RAB9A
SCHEMBL2261442 0.81 MCHR1 (0.59) ADORA1ADORA3ADORA2ANPC1RAB9A
SCHEMBL200964 0.80 GABRA1 (0.54) ADORA1ADORA3ADORA2ANPC1RAB9A
SCHEMBL1690034 0.79 CYP3A4 (0.61) ADORA1ADORA3NPC1RAB9AMEN1
SCHEMBL2260303 0.79 NPC1 (0.65) ADORA1ADORA3ADORA2ANPC1RAB9A
SCHEMBL2261168 0.79 NPC1 (0.62) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2259263 0.78 GABRA1 (0.53) ADORA1ADORA3ADORA2ANPC1RAB9A

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 ADORA1 1170/4885ADORA3 1120/4885ADORA2A 1218/4885

“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.