SCHEMBL5750720

SCHEMBL5750720

Cc1ccc(Br)c2c1CCCCC2O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.38
MAP3K14 Q99558 1/20 0.37
BRD3 Q15059 1/20 0.34
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL10340205 0.80 UGT2B17 (0.47) UGT2B17MAP3K14BRD3GAAHSD17B10
SCHEMBL23142126 0.75 MAP3K14 (0.39) UGT2B17MAP3K14
SCHEMBL23142120 0.75 MAP3K14 (0.39) UGT2B17MAP3K14
SCHEMBL23142099 0.75 MAP3K14 (0.39) UGT2B17MAP3K14
SCHEMBL30109346 0.74 MAP3K14 (0.47) UGT2B17MAP3K14
SCHEMBL7096349 0.74 MAP3K14 (0.47) UGT2B17MAP3K14
SCHEMBL13924012 0.71 HTR2C (0.35) TP53MAPTTHRB
SCHEMBL4842396 0.69 ACHE (0.37) UGT2B17BRD3MEN1KMT2AMAPT
SCHEMBL19733954 0.69 HTR2C (0.34) TP53MAPTTHRB
SCHEMBL15276006 0.68 MAP3K14 (0.39) UGT2B17MAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP UGT2B17 1123/4885MAP3K14 4397/4885BRD3 319/4885

“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.