SCHEMBL1134328

SCHEMBL1134328

O=Cc1ccc(OC2CCCC2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.56
TRIM24 O15164 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
PARP10 Q53GL7 1/20 0.45
HPGD P15428 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ERN1 O75460 1/20 0.40
TSHR P16473 1/20 0.40
ABL1 P00519 2/20 0.39
MAOB P27338 1/20 0.39
PDK2 Q15119 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PRKDC P78527 1/20 0.38

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
SCHEMBL25331274 0.81 HPGD (0.57) PARP10HPGDPTGS1PTGS2POLB
SCHEMBL29653682 0.80 TYR (0.48) TYRTRIM24TRIM33POLBMAPT
SCHEMBL1134318 0.80 TYR (0.48) TYRTRIM24TRIM33POLBMAPT
SCHEMBL1300359 0.79 HPGD (0.60) PARP10HPGDPTGS1PTGS2POLB
SCHEMBL6224120 0.79 PARP10 (0.44) PARP10PTGS1PTGS2ALDH1A1TSHR
SCHEMBL1049033 0.78 PDK2 (0.44) PARP10HPGDPTGS1PTGS2ALDH1A1
SCHEMBL6567753 0.77 PTGS1 (0.48) PARP10HPGDPTGS1PTGS2POLB
SCHEMBL12479001 0.77 PTGS1 (0.42) TYRPARP10HPGDPTGS1PTGS2
SCHEMBL1134253 0.76 GPR119 (0.55) TYRTRIM24TRIM33ALDH1A1
SCHEMBL6566396 0.75 HIF1A (0.50) POLBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285384-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
WO-2009140309-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed
WO-2009140309-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2009-11-19 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 (1 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-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD TYR 1931/4885TRIM24 4004/4885TRIM33 3194/4885

“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.