SCHEMBL13767645

SCHEMBL13767645

[2H]C([2H])([2H])OC(=O)c1ccc(CBr)c(OC([2H])([2H])[2H])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ KMT2A Q03164 4/20 0.38
▸ HSD17B2 P37059 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MGLL Q99685 1/20 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
SCHEMBL184552 0.84 MAPT (0.57) MAPTKMT2AHSD17B2TSHRCA1
SCHEMBL13767644 0.78 NOTUM (0.49) MAPTKMT2AHSD17B2TSHRCA1
SCHEMBL1017686 0.78 RAB9A (0.52) MAPTKMT2ATSHRCA1CA2
SCHEMBL2827834 0.75 ALDH1A1 (0.47) MAPTKMT2ACA1CA2CA12
SCHEMBL5161173 0.75 HSD17B2 (0.66) MAPTKMT2AHSD17B2TSHRCA1
Veratric Acid Methyl Ester SCHEMBL2371276 0.74 MAPT (0.70) MAPTKMT2ATSHRCA1CA2
SCHEMBL11059045 0.74 HIF1A (0.47) MAPTKMT2ATSHRCA1CA2
SCHEMBL31156002 0.74 MAPT (0.51) MAPTKMT2ACA1CA2CA12
SCHEMBL4518140 0.73 GABRA1 (0.43) MAPTKMT2AHSD17B2TSHRCA1
Veratric Acid Methyl Ester SCHEMBL3661352 0.73 MAPT (0.73) MAPTKMT2ATSHRCA1CA2

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-20090191183-A1 SUBSTITUTED INDOLES AUSPEX PHARMACEUTICALS, INC. (US) 2009-07-30 — — 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-20090191183-A1 SUBSTITUTED INDOLES CYSLTR1, LTB4R, LTB4R2 MAPT 4476/4885KMT2A 4317/4885HSD17B2 698/4885

“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.

Send feedback