SCHEMBL15078733

SCHEMBL15078733

COCC(O)COc1cccc(C=O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TLR2 O60603 1/20 0.35
ERN1 O75460 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
AGTR1 P30556 1/20 0.34
KMT2A Q03164 1/20 0.34
NR2E1 Q9Y466 1/20 0.33
GPR35 Q9HC97 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL15077401 0.90 SMN1; SMN2 (0.33) LMNASMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL15077383 0.90 SMN1; SMN2 (0.33) LMNASMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL15077404 0.90 SMN1; SMN2 (0.33) LMNASMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL15078737 0.87 PLA2G4B (0.33) LMNASMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL15074935 0.87 PLA2G4B (0.33) LMNASMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL15078705 0.87 PLA2G4B (0.33) LMNASMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL15077416 0.87 ALDH1A1 (0.35) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL15077434 0.85 TLR2 (0.33) SMN1; SMN2ALDH1A1HPGDHTTTLR2
SCHEMBL3445836 0.83 ALDH1A1 (0.42) LMNASMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL13035551 0.83 ALDH1A1 (0.37) LMNASMN1; SMN2CYP1A2ALDH1A1HPGD

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 LMNA 1003/4885SMN1; SMN2 1879/4885CYP1A2 2449/4885

“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.