SCHEMBL13035548

SCHEMBL13035548

COCOc1cccc(C=O)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ TLR2 O60603 1/20 0.45
▸ ERN1 O75460 1/20 0.45
▸ TLR1 Q15399 1/20 0.45
▸ TLR6 Q9Y2C9 1/20 0.45
▸ LMNA P02545 5/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ SRC P12931 2/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ TRIM24 O15164 1/20 0.37

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
SCHEMBL3446057 0.84 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2HTTTLR2
SCHEMBL453233 0.83 LMNA (0.54) ALDH1A1HPGDSMN1; SMN2HTTTLR2
SCHEMBL5809375 0.83 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2HTTTLR2
SCHEMBL1243967 0.82 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2HTTTLR2
SCHEMBL16507220 0.82 PTPN1 (0.42) HPGDSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL22804095 0.81 TLR2 (0.50) ALDH1A1HPGDSMN1; SMN2HTTTLR2
SCHEMBL3214106 0.81 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2HTTTLR2
SCHEMBL137836 0.80 ERN1 (0.61) ALDH1A1HPGDSMN1; SMN2HTTTLR2
SCHEMBL23633015 0.80 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2HTTTLR2
SCHEMBL15077481 0.80 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2HTTTLR2

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 8 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-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-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
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 ALDH1A1 4676/4885HPGD 4048/4885SMN1; SMN2 3437/4885
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 ALDH1A1 4676/4885HPGD 4048/4885SMN1; SMN2 3437/4885
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 ALDH1A1 646/4885HPGD 1004/4885SMN1; SMN2 3017/4885

“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.

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