SCHEMBL9944368

SCHEMBL9944368

CC(C)OC(=O)c1ccc2ncccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.71
HTT P42858 1/20 0.71
NPC1 O15118 5/20 0.62
RAB9A P51151 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
PLK1 P53350 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
DOT1L Q8TEK3 1/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 2/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50

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
SCHEMBL21816441 0.89 ALOX15 (0.68) ALOX15HTTNPC1RAB9AMEN1
SCHEMBL265015 0.83 ALOX15 (1.00) ALOX15HTTNPC1RAB9AMEN1
SCHEMBL30718649 0.83 ALOX15 (1.00) ALOX15HTTNPC1RAB9AMEN1
SCHEMBL27928930 0.82 ALOX15 (0.97) ALOX15HTTNPC1RAB9AMEN1
SCHEMBL25294487 0.81 HTT (0.74) ALOX15HTTNPC1RAB9AMEN1
SCHEMBL9944380 0.81 NPC1 (0.60) ALOX15HTTNPC1RAB9AMEN1
SCHEMBL8057597 0.80 ALOX15 (0.63) ALOX15HTTNPC1RAB9AMEN1
SCHEMBL25255693 0.80 HTT (0.72) ALOX15HTTNPC1RAB9AMEN1
SCHEMBL828067 0.79 ALOX15 (0.71) ALOX15HTTNPC1RAB9AMEN1
SCHEMBL1285527 0.79 ALOX15 (0.71) ALOX15HTTNPC1RAB9AMEN1

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-8846291-B2 Resist composition, method of forming resist pattern, and new compound TOKYO OHKA KOGYO CO. LTD. (JP) 2014-09-30 US disclosed
US-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-06-14 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-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND C1R, SLC11A2, RER1 ALOX15 483/4885HTT 4048/4885NPC1 1812/4885

“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.