SCHEMBL17828396

SCHEMBL17828396

CC[C@H](C)Oc1cccc([C@H](O)C[N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
AOC3 Q16853 2/20 0.38
ACACB O00763 1/20 0.37
CNR1 P21554 1/20 0.37
FAAH O00519 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL17828391 1.00 L3MBTL1 (0.43) L3MBTL1ALDH1A1MEN1HPGDKMT2A
SCHEMBL17828385 1.00 L3MBTL1 (0.43) L3MBTL1ALDH1A1MEN1HPGDKMT2A
SCHEMBL17805702 0.84 LTB4R (0.39) L3MBTL1ALDH1A1CYSLTR1
SCHEMBL17805528 0.84 LTB4R (0.39) L3MBTL1ALDH1A1CYSLTR1
SCHEMBL17831481 0.84 LTB4R (0.39) L3MBTL1ALDH1A1CYSLTR1
SCHEMBL27794445 0.82 L3MBTL1 (0.58) L3MBTL1ALDH1A1MEN1KMT2ACHRM2
SCHEMBL1444565 0.82 L3MBTL1 (0.58) L3MBTL1ALDH1A1MEN1KMT2ACHRM2
SCHEMBL17796121 0.81 ALOX5 (0.39) L3MBTL1MEN1KMT2ACNR1PTGS1
SCHEMBL17796078 0.81 ALOX5 (0.39) L3MBTL1MEN1KMT2ACNR1PTGS1
SCHEMBL17796119 0.81 ALOX5 (0.39) L3MBTL1MEN1KMT2ACNR1PTGS1

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 L3MBTL1 4526/4885ALDH1A1 3448/4885MEN1 3134/4885

“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.