SCHEMBL17828378

SCHEMBL17828378

CCC(C)Oc1cccc(C=O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
TLR2 O60603 1/20 0.33
ERN1 O75460 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL15077420 0.90 ALDH1A1 (0.34) MCHR1TLR2ERN1TLR1TLR6
SCHEMBL19519701 0.88 MCHR1 (0.38) MCHR1TLR2ERN1TLR1TLR6
SCHEMBL17805513 0.84 LPL (0.33) MCHR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL17796084 0.82 SRC (0.34) ERN1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL3445997 0.82 ALDH1A1 (0.39) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL19777880 0.81 TLR2 (0.32) TLR2ERN1TLR1TLR6ADRA2A
SCHEMBL19777699 0.81 KMT2A (0.38) ALDH1A1HPGD
SCHEMBL19702866 0.80 SRC (0.34) ERN1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL3446606 0.80 ERN1 (0.49) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL15077401 0.80 SMN1; SMN2 (0.33) TLR2ERN1TLR1TLR6ALDH1A1

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-9676796-B2 Tricyclic benzoxaborole compound, preparation method and use thereof DONG-A ST CO., LTD. (KR) 2017-06-13 US disclosed
US-20160168167-A1 Tricyclic Benzoxaborole Compound, Preparation Method and Use Thereof DONG-A ST CO., LTD. (KR) 2016-06-16 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-20160168167-A1 Tricyclic Benzoxaborole Compound, Preparation Method and Use Thereof CYP2C19, CYP2C9, TBCB MCHR1 3707/4885TLR2 463/4885ERN1 3767/4885

“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.