SCHEMBL18857968

SCHEMBL18857968

CCOc1ccc(Br)c(OC(=O)OC(C)(C)C)c1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL17410803 0.91 TSHR (0.40) KMT2AMAPTMEN1NPSR1ELANE
SCHEMBL31006018 0.88 ELANE (0.41) KMT2AMEN1ELANEHSD17B10CA9
SCHEMBL18857950 0.88 ELANE (0.41) KMT2AMEN1ELANEHSD17B10CA9
SCHEMBL18867702 0.87 ESR1 (0.39) KMT2AMAPTMEN1NPSR1ELANE
SCHEMBL18675818 0.85 MTNR1A (0.39) KMT2AMEN1ELANETSHRHSD17B10
SCHEMBL31617890 0.82 ELANE (0.35) KMT2AMAPTMEN1NPSR1ELANE
SCHEMBL18857953 0.81 ELANE (0.40) KMT2AMEN1ELANECA9
SCHEMBL31617775 0.81 ELANE (0.40) KMT2AMAPTMEN1NPSR1ELANE
SCHEMBL31617843 0.80 ELANE (0.37) ELANECA9AAK1BRD4
SCHEMBL23414048 0.80 ELANE (0.39) ELANECA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2017-05-18 — — 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-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 KMT2A 4140/4885MAPT 3247/4885MEN1 664/4885

“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.

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