SCHEMBL18505871

SCHEMBL18505871

CC1(C)OB(B(O)O)OC1(C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
ANPEP P15144 1/20 0.31
LAP3 P28838 1/20 0.31
SIRT1 Q96EB6 1/20 0.30
CYP1A2 P05177 2/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL18505873 0.76 LPL (0.38) LPLLIPGMMP2MMP9ANPEP
SCHEMBL12327478 0.72 APLNR (0.36) ANPEPLAP3
SCHEMBL18496989 0.68 LPL (0.42) LPLLIPGMMP2MMP9ANPEP
SCHEMBL4622011 0.68 ALDH1A1 (0.39) LPLLIPGMMP2MMP9CYP1A2
SCHEMBL12327929 0.67 MMP2 (0.39) LPLLIPGMMP2MMP9ANPEP
SCHEMBL11432661 0.65 ALDH1A1 (0.41) MMP2MMP9CYP1A2HCAR3HCAR2
SCHEMBL12295812 0.63 ANPEP (0.37) LPLLIPGMMP2MMP9ANPEP
SCHEMBL19809221 0.60 ALDH1A1 (0.37) MMP2MMP9CYP1A2HCAR3HCAR2
SCHEMBL19809331 0.59 ALDH1A1 (0.39) LPLLIPGMMP2MMP9CYP1A2
SCHEMBL7863381 0.59 HCAR3 (0.40) MMP2MMP9SIRT1CYP1A2HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215783-A1 BIOORTHOGONAL REACTION OF AN AMINE N-OXIDE AND A BORON AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-02 US disclosed
US-20180215783-A1 BIOORTHOGONAL REACTION OF AN AMINE N-OXIDE AND A BORON AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-02 US disclosed
WO-2017027337-A1 BIOORTHOGONAL REACTION OF AN AMINE N-OXIDE AND A BORON AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-16 WO 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-20180215783-A1 BIOORTHOGONAL REACTION OF AN AMINE N-OXIDE AND A BORON AGENT BBOX1, BLVRB, BTD LPL 4469/4885LIPG 1549/4885MMP2 1371/4885

“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.