SCHEMBL5552489

SCHEMBL5552489

COC(=O)[C@H](CCOCc1ccccc1)[C@H](O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 4/20 0.39
MMP9 P14780 2/20 0.38
MMP14 P50281 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP2C19 P33261 1/20 0.37
LTA4H P09960 1/20 0.37
MEN1 O00255 2/20 0.37
MME P08473 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 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
SCHEMBL14437758 1.00 HTT (0.41) HTTSMN1; SMN2CNR2SLC6A2SLC6A4
SCHEMBL5549557 1.00 HTT (0.41) HTTSMN1; SMN2CNR2SLC6A2SLC6A4
SCHEMBL20185592 0.79 SMN1; SMN2 (0.43) HTTSMN1; SMN2KMT2ACYP2C19LTA4H
SCHEMBL18172515 0.76 KMT2A (0.50) KMT2AMEN1
SCHEMBL14437764 0.76 PPARA (0.51)
SCHEMBL1114734 0.75 MAPT (0.40) HTTSMN1; SMN2KMT2ACYP2C19LTA4H
SCHEMBL1975707 0.75 MAPT (0.40) HTTSMN1; SMN2KMT2ACYP2C19LTA4H
SCHEMBL11118304 0.74 TDP1 (0.45) SMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL11116485 0.74 SMN1; SMN2 (0.48) HTTSMN1; SMN2KMT2AL3MBTL1CYP2C19
SCHEMBL735424 0.72 LTA4H (0.55) HTTSMN1; SMN2LTA4H

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-20070197640-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-08-23 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-20070197640-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HTT 1020/4885SMN1; SMN2 1149/4885CNR2 4377/4885

“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.