SCHEMBL566089

SCHEMBL566089

Cc1cc(OC2CCCCO2)cc(COC2CCCCO2)c1Br

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
DHFR P00374 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN1 P18031 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
CREBBP Q92793 1/20 0.30

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
SCHEMBL566138 0.87 DHFR (0.36) KDM4CDHFRNPC1RAB9AHSD11B1
SCHEMBL566170 0.86 DHFR (0.36) KDM4CDHFRNPC1RAB9AHSD11B1
SCHEMBL563008 0.85 HSD11B1 (0.38) KDM4CDHFRNPC1RAB9AHSD11B1
SCHEMBL564788 0.85 DHFR (0.38) KDM4CDHFRNPC1RAB9AHSD11B1
SCHEMBL566217 0.85 PTPN1 (0.35) DHFRHSD11B1MEN1KMT2APTPN1
Phenol SCHEMBL566141 0.81 DHFR (0.36) KDM4CDHFRHSD11B1MEN1KMT2A
SCHEMBL565682 0.77 DHFR (0.40) KDM4CDHFRNPC1RAB9AHSD11B1
SCHEMBL23907104 0.75 DHFR (0.37) KDM4CDHFRNPC1RAB9AHSD11B1
SCHEMBL4070838 0.74 MEN1 (0.51) KDM4CNPC1RAB9AHSD11B1MEN1
SCHEMBL23907118 0.74 HSD11B1 (0.38) KDM4CDHFRNPC1RAB9AHSD11B1

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-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 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 (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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 KDM4C 3765/4885DHFR 3087/4885NPC1 292/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 KDM4C 3765/4885DHFR 3087/4885NPC1 292/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 KDM4C 3765/4885DHFR 3087/4885NPC1 292/4885

“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.