SCHEMBL15077481

SCHEMBL15077481

CCCOc1cccc(C=O)c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
AR P10275 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ERN1 O75460 2/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
CYP2A6 P11509 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5019551 0.92 ALDH1A1 (0.53) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL5019543 0.90 ALDH1A1 (0.51) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL13073973 0.86 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL453233 0.86 LMNA (0.54) ALDH1A1HPGDHTTSMN1; SMN2AR
SCHEMBL15075007 0.85 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL30920025 0.84 ALDH1A1 (0.77) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL812635 0.84 ALDH1A1 (0.77) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL3446057 0.84 ALDH1A1 (0.51) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL16962192 0.83 HPGD (0.44) ALDH1A1HPGDHTTSMN1; SMN2AR
SCHEMBL1498464 0.83 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2

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.