SCHEMBL1644783

SCHEMBL1644783

O=C(O)Cc1cc(O)ccc1Br

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CAMK2A Q9UQM7 7/20 0.47
CA2 P00918 1/20 0.47
AKR1B1 P15121 2/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
GRB2 P62993 1/20 0.46
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8620374 0.84 CAMK2A (0.51) EGFRALDH1A1LMNAGLACYP2C9
SCHEMBL30745400 0.84 CAMK2A (0.51) EGFRALDH1A1LMNAGLACYP2C9
SCHEMBL23205713 0.82 CA2 (0.48) ALDH1A1LMNANPSR1CA2MEN1
SCHEMBL1758414 0.82 PTGDR2 (0.46) ALDH1A1LMNAGLAHPGDAKR1B1
SCHEMBL29661155 0.82 PTGDR2 (0.46) ALDH1A1LMNAGLAHPGDAKR1B1
SCHEMBL30532244 0.81 POLB (0.46) EGFRALDH1A1GLAHPGDTSHR
SCHEMBL18075760 0.81 POLB (0.46) EGFRALDH1A1GLAHPGDTSHR
SCHEMBL29354171 0.79 EGFR (0.70) EGFRALDH1A1LMNAGLACYP2C9
SCHEMBL2535192 0.79 EGFR (0.70) EGFRALDH1A1LMNAGLACYP2C9
SCHEMBL155333 0.79 EGFR (0.70) EGFRALDH1A1LMNAGLACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021067490-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2021-04-08 WO disclosed
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 US disclosed
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 US disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2012-01-05 US disclosed
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2012-01-05 US disclosed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same CVI PHARMACEUTICALS LIMITED (KY) 2011-01-13 US disclosed
US-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same CVI PHARMACEUTICALS LIMITED (KY) 2011-01-13 US disclosed
WO-2011006000-A1 BERBERINE DERIVATIVES USEFUL FOR MODULATING LIPID LEVELS AND THEIR METHODS OF SYNTHESIS LIU HAIYAN (US) 2011-01-13 WO disclosed
EP-2257536-A2 CYCLIC DIARYL ETHER AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 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-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same LIPC, LDLR, PCSK9 EGFR 3179/4885ALDH1A1 3512/4885LMNA 387/4885
US-20110098302-A1 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER1 EGFR 1991/4885ALDH1A1 2220/4885LMNA 2386/4885
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 EGFR 3455/4885ALDH1A1 2335/4885LMNA 779/4885

“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.