SCHEMBL17828376

SCHEMBL17828376

CCC(C)Oc1cccc(C=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.44
ERN1 O75460 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SRC P12931 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36

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
SCHEMBL11673199 0.85 ALDH1A1 (0.53) TLR2ERN1TLR1TLR6MCHR1
SCHEMBL5483924 0.83 ERN1 (0.58) TLR2ERN1TLR1TLR6MCHR1
SCHEMBL17828382 0.83 MCHR1 (0.41) TLR2ERN1TLR1TLR6MCHR1
SCHEMBL20818485 0.76 ALDH1A1 (0.50) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL738533 0.75 ERN1 (0.66) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL29954368 0.75 ERN1 (0.66) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL6468006 0.75 ERN1 (0.55) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL18106784 0.75 MCHR1 (0.53) MCHR1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17828378 0.74 MCHR1 (0.35) TLR2ERN1TLR1TLR6MCHR1
SCHEMBL8546246 0.73 ALDH1A1 (0.56) TLR2ERN1TLR1TLR6MCHR1

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 TLR2 463/4885ERN1 3767/4885TLR1 185/4885

“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.