SCHEMBL15077477

SCHEMBL15077477

CC1(C)OC[C@H](CCOc2cccc(C=O)c2Br)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
MAPK14 Q16539 4/20 0.37
ADRA1D P25100 8/20 0.36
HTR1A P08908 7/20 0.36
ADRA1A P35348 7/20 0.36
ADRA1B P35368 7/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL1133830 0.89 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2HTTMAPK14
SCHEMBL15077475 0.82 MAPK14 (0.35) ALDH1A1HPGDSMN1; SMN2HTTMAPK14
SCHEMBL3446578 0.80 APP (0.40) ALDH1A1HPGDSMN1; SMN2HTTMAPK14
SCHEMBL1133799 0.80 HTR1A (0.36) ALDH1A1HPGDSMN1; SMN2HTTMAPK14
SCHEMBL1133796 0.80 HTR1A (0.36) ALDH1A1HPGDSMN1; SMN2HTTMAPK14
SCHEMBL13552003 0.79 ALDH1A1 (0.38) ALDH1A1HPGDSMN1; SMN2MAPK14ADRA1D
SCHEMBL5307075 0.78 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2HTTMAPK14
SCHEMBL4790647 0.78 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2HTTMAPK14
SCHEMBL5307972 0.78 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2HTTMAPK14
SCHEMBL13117490 0.75 MAPK14 (0.40) ALDH1A1HPGDSMN1; SMN2MAPK14ADRA1D

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-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 US disclosed
US-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 US disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 US disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 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 (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-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY TBCA, TBCB, BTD ALDH1A1 4409/4885HPGD 4390/4885SMN1; SMN2 1879/4885

“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.