SCHEMBL15077421

SCHEMBL15077421

CCC(CC)Oc1cccc(C=O)c1Br

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
TLR2 O60603 1/20 0.41
ERN1 O75460 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
LMNA P02545 4/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCHR1 Q99705 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
SRC P12931 2/20 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
SCHEMBL17828382 0.87 MCHR1 (0.41) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL15078711 0.83 ALDH1A1 (0.37) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL8940219 0.83 ERN1 (0.43) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL662857 0.82 SMN1; SMN2 (0.41) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL453233 0.79 LMNA (0.54) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL19519745 0.78 MCHR1 (0.44) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL15077402 0.77 SMN1; SMN2 (0.40) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL15077406 0.77 SMN1; SMN2 (0.40) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL15077389 0.77 SMN1; SMN2 (0.40) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL137836 0.77 ERN1 (0.61) ALDH1A1HPGDHTTSMN1; SMN2TLR2

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 2 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-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 4390/4885HTT 1751/4885

“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.