SCHEMBL1135232

SCHEMBL1135232

CC1(C)OB(c2cc(Oc3cccnc3)ccc2C=O)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 3/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.36
ORAI1 Q96D31 1/20 0.36
ABL1 P00519 1/20 0.36
LIPE Q05469 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
PPARG P37231 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTGS2 P35354 1/20 0.34
CHEK2 O96017 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL1135188 0.85 ERN1 (0.40) LMNATDP1ALDH1A1LIPELTA4H
SCHEMBL13127396 0.85 LMNA (0.39) LMNATDP1CYP19A1HTTALDH1A1
SCHEMBL1135210 0.82 ALDH1A1 (0.42) LMNAALDH1A1LIPE
SCHEMBL12260751 0.80 LMNA (0.48) LMNATDP1CYP19A1HTTALDH1A1
SCHEMBL1135225 0.78 ALDH1A1 (0.42) LMNAALDH1A1PTGS2LTA4H
SCHEMBL24364397 0.77 LMNA (0.58) LMNATDP1CYP19A1HTTALDH1A1
SCHEMBL13127061 0.77 ACACB (0.39) CYP19A1ALDH1A1LIPELTA4H
SCHEMBL31276809 0.77 CYP19A1 (0.49) LMNATDP1CYP19A1HTTCYP11B1
SCHEMBL25358250 0.77 CYP19A1 (0.49) LMNATDP1CYP19A1HTTCYP11B1
SCHEMBL1135193 0.77 ALDH1A1 (0.50) LMNAALDH1A1

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 5 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

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 LMNA 3490/4885TDP1 2867/4885CYP19A1 2545/4885

“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.