SCHEMBL17828382

SCHEMBL17828382

CCC(C)Oc1cccc(C=O)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR2 O60603 1/20 0.39
ERN1 O75460 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
LMNA P02545 4/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
SRC P12931 2/20 0.34

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
SCHEMBL15077421 0.87 ALDH1A1 (0.42) MCHR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL19519745 0.85 MCHR1 (0.44) MCHR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11673199 0.83 ALDH1A1 (0.53) MCHR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL8940219 0.83 ERN1 (0.43) MCHR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL17828376 0.83 TLR2 (0.44) MCHR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL19777979 0.82 ALDH1A1 (0.36) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL5483924 0.81 ERN1 (0.58) MCHR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL17805508 0.81 ALDH1A1 (0.36) MCHR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL19777996 0.80 TLR2 (0.40) ALDH1A1HPGDHTTSMN1; SMN2TLR2
SCHEMBL662857 0.80 SMN1; SMN2 (0.41) ALDH1A1HPGDHTTSMN1; SMN2TLR2

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 3707/4885ALDH1A1 3448/4885HPGD 2200/4885

“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.