SCHEMBL74507

SCHEMBL74507

COc1ccc(C(=O)O)c2c(C)c(C)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 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
SCHEMBL74643 0.82 MAPT (0.41) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL4574940 0.82 NPC1 (0.36) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL11335559 0.82 CYP1A2 (0.46) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL74714 0.81 MAPT (0.40) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL73469 0.79 PDE4A (0.41) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL75225 0.79 RAB9A (0.47) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL9843741 0.78 CYP1A2 (0.42) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL5501605 0.76 MAPT (0.40) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL73952 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL1752409 0.75 MAOA (0.51) ALDH1A1KDM4ENPC1RAB9ACA12

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-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US claimed
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP claimed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 WO claimed
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP disclosed
US-8129401-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2012-03-06 US disclosed
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2011-08-04 US disclosed
US-7943634-B2 Substituted benzo[4,5]furo[3,2-c]pyridine derivatives as PDE 4 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2011-05-17 US disclosed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US disclosed
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP disclosed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 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 (2 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-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A ALDH1A1 1591/4885KDM4E 2531/4885HSD17B10 2675/4885
US-20110190303-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A ALDH1A1 1267/4885KDM4E 2674/4885HSD17B10 2519/4885

“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.