SCHEMBL13035523

SCHEMBL13035523

CC1(C)OB(c2cc(OCOCc3ccccc3)ccc2C=O)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.43
▸ MAOB P27338 4/20 0.37
▸ MAOA P21397 3/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ERN1 O75460 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL20607798 0.91 DGAT1 (0.48) DGAT1MAOBMAOAMMP2MMP13
SCHEMBL3445787 0.90 DGAT1 (0.40) DGAT1MAOBMAOAMMP2MMP13
SCHEMBL1135226 0.85 MAOB (0.46) DGAT1MAOBMAOAHTR2BTMEM97
SCHEMBL3446635 0.83 DGAT1 (0.40) DGAT1MAOBMAOAMMP2MMP13
SCHEMBL16706961 0.80 ERN1 (0.38) NPC1MEN1KMT2AERN1MAPT
SCHEMBL19777737 0.79 DGAT1 (0.36) DGAT1MAOBMAOAHTR2BTMEM97
SCHEMBL1135188 0.78 ERN1 (0.40) MAOBMAOAMMP2MMP13KMT2A
SCHEMBL19519621 0.78 DGAT1 (0.37) DGAT1MAOBNPC1RAB9AMEN1
SCHEMBL1135235 0.77 LIPG (0.36) DGAT1NPC1RAB9AMAPT
SCHEMBL5019528 0.76 DGAT1 (0.39) DGAT1MAOBMAOAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 DGAT1 3618/4885MAOB 1434/4885MAOA 4203/4885
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 DGAT1 1285/4885MAOB 605/4885MAOA 1643/4885

“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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