SCHEMBL16010449

SCHEMBL16010449

CC(C)(O)c1cccc(B(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
CYP26B1 Q9NR63 1/20 0.38
ENPP2 Q13822 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
SCHEMBL3518819 0.90 CYP26B1 (0.46) MGLLCYP26B1ENPP2
SCHEMBL16223353 0.82 ACHE (0.35) CYP26B1ENPP2
SCHEMBL517851 0.82 ENPP2 (0.48) CYP26B1ENPP2
SCHEMBL4592239 0.81 PGR (0.35) CYP26B1ENPP2
SCHEMBL1032711 0.81 ALDH1A1 (0.50) CYP26B1ENPP2
SCHEMBL14830420 0.79 MGLL (0.51) MGLLCYP26B1ENPP2
SCHEMBL2300859 0.79 ENPP2 (0.57) ENPP2
SCHEMBL119711 0.79 TRPV6 (0.39) MGLLENPP2
SCHEMBL3524643 0.78 NLRP3 (0.32) ENPP2
SCHEMBL22684756 0.78 ALDH1A1 (0.40) ENPP2

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
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
EP-2970312-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2016-01-20 EP disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 MGLL 3047/4885CYP26B1 4244/4885ENPP2 1913/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 MGLL 3047/4885CYP26B1 4244/4885ENPP2 1913/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 MGLL 3047/4885CYP26B1 4244/4885ENPP2 1913/4885

“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.