SCHEMBL15816645

SCHEMBL15816645

COc1ccc(C2OC(C)(C)C(C)(C)O2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.52
PTAFR P25105 1/20 0.51
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ACHE P22303 2/20 0.43
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL15815816 0.84 CA2 (0.56) NR3C1ALDH1A1L3MBTL1GAACA2
SCHEMBL5049790 0.78 TUBB4A (0.53) ALDH1A1GAASMN1; SMN2
SCHEMBL18288113 0.76 ALDH1A1 (0.58) NR3C1PTAFRALDH1A1GAARAB9A
SCHEMBL17863581 0.75 MAPK1 (0.37) RAB9AMAPK1SMN1; SMN2
SCHEMBL16581925 0.75 CA1 (0.46) ALDH1A1GAARAB9AACHEMAPK1
SCHEMBL18555689 0.73 ALDH1A1 (0.55) NR3C1PTAFRALDH1A1GAARAB9A
SCHEMBL9586738 0.72 PTAFR (0.81) NR3C1PTAFRGAARAB9ANPSR1
SCHEMBL9586957 0.72 PTAFR (0.81) NR3C1PTAFRGAARAB9ANPSR1
SCHEMBL28829958 0.72 NR3C1 (0.53) NR3C1PTAFRALDH1A1L3MBTL1GAA
SCHEMBL9946120 0.71 HTR2A (0.37) ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935253-B1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2018-08-01 EP disclosed
US-9861637-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-01-09 US disclosed
US-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-05-25 US disclosed
US-9598367-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-03-21 US disclosed
US-20160130228-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors ZENITH EPIGENETICS LTD. (CA) 2016-05-12 US disclosed
US-9271978-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS CORP. (CA) 2016-03-01 US disclosed
US-20140179648-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors RVX THERAPEUTICS INC. (CA) 2014-06-26 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 (3 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-20160130228-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors BRD4, BRDT, BRD3 NR3C1 1490/4885PTAFR 3596/4885ALDH1A1 4346/4885
US-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRDT, BRD3 NR3C1 1490/4885PTAFR 3596/4885ALDH1A1 4346/4885
US-20140179648-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors BRD4, BRDT, BRD3 NR3C1 1490/4885PTAFR 3596/4885ALDH1A1 4346/4885

“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.