SCHEMBL4833079

SCHEMBL4833079

C=CB(O)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
GSR P00390 1/20 0.35
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TRPA1 O75762 1/20 0.31
MAPT P10636 1/20 0.30
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 1/20 0.30
TRPV6 Q9H1D0 1/20 0.30
ENPP2 Q13822 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
SCHEMBL4129 0.74 TSHR (0.47) ALDH1A1TSHRLMNACES2CES1
SCHEMBL29404220 0.74 TSHR (0.47) ALDH1A1TSHRLMNACES2CES1
Benzene SCHEMBL28042388 0.72 LMNA (0.45) ALDH1A1TSHRLMNACES2CES1
SCHEMBL28117905 0.72 TSHR (0.45) ALDH1A1TSHRLMNACES2CES1
SCHEMBL14217841 0.70 TSHR (0.43) ALDH1A1TSHRLMNACES2CES1
SCHEMBL23219858 0.67 TRPV6 (0.50) ALDH1A1TSHRLMNAORAI1ORAI2
1,2-Dichlorobenzene SCHEMBL28043924 0.67 TSHR (0.71) ALDH1A1TSHRLMNACYP1A2CES2
SCHEMBL1186935 0.67 TSHR (0.39) ALDH1A1TSHRLMNACES2CES1
SCHEMBL16104430 0.67 ENPP2 (0.45) ALDH1A1TSHRLMNAHPGDCES2
Chlorobenzene SCHEMBL28220118 0.65 TSHR (0.55) ALDH1A1TSHRLMNACYP1A2CES2

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-7393856-B2 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. (US) 2008-07-01 US disclosed
EP-1771182-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES Anacor Pharmaceuticals, Inc. (US) 2007-04-11 EP disclosed
EP-1765360-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 EP disclosed
WO-2006085932-A2 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-17 WO disclosed
US-20060019927-A1 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-26 US disclosed
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-19 US disclosed
WO-2005123095-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 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 (2 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-20060014723-A1 Anti-parasitic uses of borinic acid complexes BPGM, HRH1, HRH3 ALDH1A1 2879/4885TSHR 3633/4885LMNA 928/4885
US-20060019927-A1 Anti-viral uses of borinic acid complexes SSB, BPGM, HAVCR2 ALDH1A1 3836/4885TSHR 4453/4885LMNA 1188/4885

“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.