SCHEMBL5019544

SCHEMBL5019544

CCCCCOc1cccc(C=O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LPL P06858 5/20 0.40
LIPG Q9Y5X9 5/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PRKCA P17252 5/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL5019553 0.96 ALDH1A1 (0.43) ALDH1A1HPGDHTTSMN1; SMN2LPL
SCHEMBL15077378 0.92 ALDH1A1 (0.44) ALDH1A1HPGDHTTSMN1; SMN2LPL
SCHEMBL13073613 0.92 ALDH1A1 (0.39) ALDH1A1HPGDHTTSMN1; SMN2LPL
SCHEMBL15074985 0.91 ALDH1A1 (0.41) ALDH1A1HPGDHTTSMN1; SMN2LPL
SCHEMBL469441 0.89 ALDH1A1 (0.41) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL13073687 0.88 ALDH1A1 (0.35) ALDH1A1HPGDHTTSMN1; SMN2LPL
SCHEMBL1498588 0.88 ALDH1A1 (0.42) ALDH1A1HPGDHTTSMN1; SMN2LPL
SCHEMBL3445836 0.88 ALDH1A1 (0.42) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL3445997 0.87 ALDH1A1 (0.39) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL3446045 0.84 ALDH1A1 (0.39) ALDH1A1HPGDHTTSMN1; SMN2MEN1

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-20170355719-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-12-14 US disclosed
US-9751898-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 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-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ALDH1A1 4256/4885HPGD 4201/4885HTT 3736/4885
US-20170355719-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ALDH1A1 4256/4885HPGD 4201/4885HTT 3736/4885
US-20140315860-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX ALDH1A1 4256/4885HPGD 4201/4885HTT 3736/4885

“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.