SCHEMBL988934

SCHEMBL988934

CCOC(=O)/C(O)=C/C(C)=O.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
GLO1 Q04760 1/20 0.47
ALDH1A1 P00352 6/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.36
GLA P06280 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 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
SCHEMBL988937 1.00 NPSR1 (0.47) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL4844916 0.98 NPSR1 (0.48) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL4844923 0.98 NPSR1 (0.48) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL28855755 0.83 NPSR1 (0.63) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL28912588 0.83 NPSR1 (0.63) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL9806023 0.82 NPSR1 (0.50) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL28134967 0.82 NPSR1 (0.50) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL4205886 0.80 NPSR1 (0.65) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL2288560 0.80 NPSR1 (0.65) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL2288565 0.80 NPSR1 (0.65) NPSR1GLO1ALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273880-B2 Pyrazole compounds with inhibitory activity against ROS kinase KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-09-25 US disclosed
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-20 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-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE ROS1, PDPK1, MAP3K19 NPSR1 3629/4885GLO1 1802/4885ALDH1A1 1644/4885

“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.