SCHEMBL2223446

SCHEMBL2223446

CC(C)(C)OC(=O)C1CCC2(CCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
HPGD P15428 1/20 0.37
EPHX1 P07099 2/20 0.36
MAPK1 P28482 1/20 0.35
BTK Q06187 1/20 0.34
GAA P10253 1/20 0.33
GRM5 P41594 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2633813 0.98 HRH3 (0.42) HRH3HPGDEPHX1MAPK1BTK
SCHEMBL20918704 0.95 HRH3 (0.42) HRH3HPGDEPHX1MAPK1BTK
SCHEMBL12002951 0.91 HRH3 (0.44) HRH3HPGDEPHX1MAPK1BTK
SCHEMBL26132791 0.88 HRH3 (0.37) HRH3HPGDEPHX1MAPK1BTK
SCHEMBL30415219 0.84 HRH3 (0.39) HRH3HPGDMAPK1BTK
SCHEMBL25277997 0.84 HRH3 (0.37) HRH3HPGDEPHX1MAPK1BTK
SCHEMBL4649839 0.83 HRH3 (0.36) HRH3HPGDEPHX1MAPK1BTK
SCHEMBL30733879 0.81 HPGD (0.35) HRH3HPGDEPHX1BTKGPR119
SCHEMBL30718246 0.81 HRH3 (0.36) HRH3HPGDEPHX1MAPK1BTK
SCHEMBL30686990 0.81 HRH3 (0.40) HRH3HPGDMAPK1BTKGAA

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-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP claimed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO claimed
WO-2023025159-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海领泰生物医药科技有限公司 2023-03-02 WO disclosed
WO-2013170191-A1 METHODS OF USING ANTAGONISTS OF NAD BIOSYNTHESIS FROM NICOTINAMIDE GENENTECH, INC. (US) 2013-11-14 WO disclosed
EP-2513066-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
US-20060135774-A1 Method for producing pigment transparent preparations based on perylene-3,4,9,10-tetracarboxylic acid diimine CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-06-22 US disclosed
EP-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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 (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-20060135774-A1 Method for producing pigment transparent preparations based on perylene-3,4,9,10-tetracarboxylic acid diimine RDX, USP9X, DDX1 HRH3 665/4885HPGD 3175/4885EPHX1 1359/4885

“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.