Phenol

Phenol

SCHEMBL566141

Cc1cc(OC2CCCCO2)cc(CO)c1Br.Oc1ccccc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
PTPN1 P18031 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
HSD11B1 P28845 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ACP1 P24666 1/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
SLC6A3 Q01959 4/20 0.32
PDE4B Q07343 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
SCHEMBL566170 0.91 DHFR (0.36) DHFRPTPN1SPHK1KDM4CHSD11B1
SCHEMBL566089 0.81 KDM4C (0.36) DHFRPTPN1KDM4CHSD11B1MEN1
SCHEMBL566138 0.81 DHFR (0.36) DHFRPTPN1KDM4CHSD11B1MEN1
SCHEMBL563008 0.79 HSD11B1 (0.38) DHFRPTPN1KDM4CHSD11B1MEN1
SCHEMBL566217 0.78 PTPN1 (0.35) DHFRPTPN1HSD11B1CYP4F2CYP4A11
SCHEMBL566142 0.74 HSD11B1 (0.35) DHFRPTPN1HSD11B1SLC6A3
SCHEMBL562593 0.74 CD274 (0.40) DHFRKDM4CHSD11B1MEN1KMT2A
SCHEMBL23907118 0.73 HSD11B1 (0.38) DHFRPTPN1KDM4CHSD11B1CYP4F2
SCHEMBL565682 0.71 DHFR (0.40) DHFRPTPN1KDM4CHSD11B1MEN1
SCHEMBL5102620 0.70 DHFR (0.41) DHFR

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 DHFR 3087/4885PTPN1 2022/4885SPHK1 1785/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 DHFR 3087/4885PTPN1 2022/4885SPHK1 1785/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 DHFR 3087/4885PTPN1 2022/4885SPHK1 1785/4885

“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.