SCHEMBL5880332

SCHEMBL5880332

COC(=O)c1scc(-c2cc(C)cc(C)c2)c1N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.52
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
MAPK1 P28482 3/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 3/20 0.49
KDM4E B2RXH2 4/20 0.48
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.44
PRKCZ Q05513 2/20 0.44
MEN1 O00255 1/20 0.44
CNR2 P34972 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL15939985 0.87 HSD17B10 (0.70) HSD17B10ALDH1A1MAPTMAPK1TSHR
SCHEMBL15940088 0.86 MAPT (0.67) HSD17B10ALDH1A1MAPTMAPK1TSHR
SCHEMBL1883906 0.81 ALDH1A1 (0.66) HSD17B10ALDH1A1MAPTMAPK1TSHR
SCHEMBL24128292 0.80 ALDH1A1 (0.51) HSD17B10ALDH1A1MAPTMAPK1TSHR
SCHEMBL15939770 0.80 KDM4E (0.53) HSD17B10ALDH1A1MAPTMAPK1TSHR
SCHEMBL15940127 0.79 ALDH1A1 (0.74) HSD17B10ALDH1A1MAPTMAPK1LMNA
SCHEMBL14975744 0.79 PRKCZ (0.68) HSD17B10ALDH1A1MAPTMAPK1TSHR
SCHEMBL15940251 0.79 IKBKB (0.56) HSD17B10ALDH1A1MAPTMAPK1TSHR
SCHEMBL15940253 0.79 KDM4E (0.56) HSD17B10ALDH1A1MAPTMAPK1TSHR
SCHEMBL15940360 0.78 ALDH1A1 (0.70) HSD17B10ALDH1A1MAPTMAPK1LMNA

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-20060276489-A1 Inhibitors of Tubulin Polymerization RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
US-7071190-B2 Inhibitors to tubulin polymerization RIGEL PHARMACEUTICALS, INC. (US) 2006-07-04 US disclosed
US-20030225112-A1 Inhibitors to tubulin polymerization RIGEL PHARMACEUTICALS, INC. 2003-12-04 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 (2 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-20030225112-A1 Inhibitors to tubulin polymerization TUBB3, TUBB1, TUBB HSD17B10 2536/4885ALDH1A1 2477/4885MAPT 26/4885
US-20060276489-A1 Inhibitors of Tubulin Polymerization TUBB3, TUBB1, TUBB HSD17B10 2485/4885ALDH1A1 2377/4885MAPT 27/4885

“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.