SCHEMBL200711

SCHEMBL200711

O=C(c1cc(O)cc(-c2ccc3c(c2)OCO3)c1)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.51
ADORA2A P29274 3/20 0.51
ADORA3 P0DMS8 3/20 0.51
NPC1 O15118 7/20 0.49
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 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
SCHEMBL201497 0.95 ADORA1 (0.49) ADORA1ADORA2AADORA3NPC1GABRA1
SCHEMBL2260303 0.81 NPC1 (0.65) ADORA1ADORA2AADORA3NPC1RAB9A
SCHEMBL2260433 0.81 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2260576 0.80 CHEK2 (0.53) ADORA1ADORA2AADORA3NPC1GABRA1
SCHEMBL13175005 0.80 CNR1 (0.47) RAB9A
SCHEMBL2261168 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2KMT2ANFKB1
SCHEMBL3365011 0.79 KDM4E (0.63) NPC1KDM4EMAPK1RAB9ASMN1; SMN2
SCHEMBL2261442 0.79 MCHR1 (0.59) ADORA1ADORA2AADORA3NPC1GABRA1
SCHEMBL203119 0.78 EDNRA (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL200964 0.77 GABRA1 (0.54) ADORA1ADORA2AADORA3NPC1GABRA1

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 8 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
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 1170/4885ADORA2A 1218/4885ADORA3 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.