SCHEMBL15078749

SCHEMBL15078749

CCCCOC[C@H](COc1cccc([C@H](O)CC)c1)OCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G1B P04054 1/20 0.42
PLA2G5 P39877 1/20 0.42
MAPK1 P28482 2/20 0.41
ALOX5 P09917 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL15078745 0.91 PLA2G2A (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5MAPK1
SCHEMBL15078748 0.86 TLR4 (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5LTB4R
SCHEMBL15078764 0.84 ALOX5 (0.47) MAPK1ALOX5TP53CYP1A2CYP3A4
SCHEMBL15016887 0.80 ALOX5 (0.56) MAPK1ALOX5TP53CYP1A2CYP3A4
SCHEMBL15078742 0.77 PLA2G2A (0.47) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL18175239 0.74 ALOX5 (0.50) MAPK1ALOX5TP53CYP1A2CYP3A4
SCHEMBL15078762 0.74 ALOX5 (0.48) MAPK1ALOX5TP53CYP1A2CYP3A4
SCHEMBL6055172 0.74 LMNA (0.52) MAPK1ALOX5TP53CYP1A2CYP3A4
SCHEMBL17805709 0.73 ALOX5 (0.47) MAPK1ALOX5TP53CYP1A2CYP3A4
SCHEMBL16451181 0.73 ALOX5 (0.47) MAPK1ALOX5TP53CYP1A2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PLA2G2A 4879/4885PLA2G10 4874/4885PLA2G1B 4878/4885

“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.