SCHEMBL15078705

SCHEMBL15078705

CCCCOC[C@H](O)COc1cccc(C=O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
LPAR5 Q9H1C0 1/20 0.31
ALOX15 P16050 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
AGTR1 P30556 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL15078737 1.00 PLA2G4B (0.33) PLA2G4BSMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL15074935 1.00 PLA2G4B (0.33) PLA2G4BSMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL15078733 0.87 LMNA (0.36) SMN1; SMN2KDM4ELMNACYP1A2KMT2A
SCHEMBL15077383 0.86 SMN1; SMN2 (0.33) SMN1; SMN2KDM4ELMNACYP1A2ALDH1A1
SCHEMBL15077404 0.86 SMN1; SMN2 (0.33) SMN1; SMN2KDM4ELMNACYP1A2ALDH1A1
SCHEMBL15077401 0.86 SMN1; SMN2 (0.33) SMN1; SMN2KDM4ELMNACYP1A2ALDH1A1
SCHEMBL13073613 0.86 ALDH1A1 (0.39) SMN1; SMN2CYP1A2MEN1KMT2ALPL
SCHEMBL5019553 0.86 ALDH1A1 (0.43) SMN1; SMN2CYP1A2MEN1KMT2ALPL
SCHEMBL15078712 0.85 LPL (0.34) SMN1; SMN2LPLLIPGALDH1A1HPGD
SCHEMBL15074985 0.85 ALDH1A1 (0.41) SMN1; SMN2KDM4ECYP1A2LPLLIPG

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 PLA2G4B 4870/4885SMN1; SMN2 1879/4885KDM4E 4661/4885

“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.