SCHEMBL13035481

SCHEMBL13035481

O=Cc1cccc(OCOCc2ccccc2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
SRC P12931 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TSHR P16473 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL8305004 0.88 CCNB2 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL7854219 0.86 ALDH1A1 (0.59) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3446508 0.86 ALDH1A1 (0.49) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3445741 0.86 ALDH1A1 (0.49) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5019526 0.83 ERN1 (0.50) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL24167485 0.82 ALDH1A1 (0.42) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL16446797 0.80 SRC (0.43) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL17796080 0.78 SRC (0.40) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL13035548 0.77 ALDH1A1 (0.46) SRCSMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL13123146 0.76 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HPGDHTTKMT2A

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
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-05-14 US disclosed
US-8895534-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-7816344-B2 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2009-09-10 US 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-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 CCNB2 1029/4885CDK1 1936/4885CDK4 1046/4885
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 CCNB2 1029/4885CDK1 1936/4885CDK4 1046/4885
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics OXA1L, TLR1, OXER1 CCNB2 3865/4885CDK1 4029/4885CDK4 4040/4885

“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.