SCHEMBL5898540

SCHEMBL5898540

CCOC(=O)CC(O)(CC)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
OPRM1 P35372 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NLRP3 Q96P20 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL5898527 0.81 TSHR (0.39) TSHRSMN1; SMN2MAPTMAPK1NPSR1
SCHEMBL20746904 0.78 TSHR (0.41) TSHRSMN1; SMN2MAPTMAPK1NPSR1
SCHEMBL19301955 0.78 TSHR (0.41) TSHRSMN1; SMN2MAPTMAPK1NPSR1
SCHEMBL6999249 0.78 TSHR (0.41) TSHRSMN1; SMN2MAPTMAPK1NPSR1
SCHEMBL5898550 0.78 KMT2A (0.46) SMN1; SMN2MAPTMAPK1NPSR1LMNA
SCHEMBL11545326 0.77 SLC6A2 (0.41) TSHRSMN1; SMN2MAPTMAPK1NPSR1
SCHEMBL8588900 0.73 TSHR (0.44) TSHRMAPTMAPK1NPSR1LMNA
SCHEMBL30730276 0.73 CNR2 (0.54) TSHRSMN1; SMN2MAPTMAPK1NPSR1
SCHEMBL5898544 0.72 TSHR (0.37) TSHRSMN1; SMN2MAPTMAPK1NPSR1
SCHEMBL10810386 0.72 MAPT (0.48) TSHRSMN1; SMN2MAPTMAPK1NPSR1

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-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity MEZA TOLEDO SERGIO E 2006-12-21 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-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity GABRB2, HRH3, HRH4 TSHR 3345/4885SMN1; SMN2 2748/4885MAPT 2331/4885

“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.