SCHEMBL9944375

SCHEMBL9944375

CC(C)OC(=O)c1c2ccccc2nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
HPGD P15428 4/20 0.49
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HIF1A Q16665 1/20 0.49
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
PDE10A Q9Y233 3/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
PRNP P04156 2/20 0.47

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
SCHEMBL2443270 0.80 MEN1 (0.71) MEN1KMT2ACA12CA1CA2
SCHEMBL38662586 0.80 MEN1 (0.71) MEN1KMT2ACA12CA1CA2
SCHEMBL7701145 0.79 GABRA1 (0.46) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL4421304 0.78 KMT2A (0.50) MEN1KMT2AHPGDKDM4EPDE10A
SCHEMBL17080394 0.77 CA12 (0.55) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL19522318 0.77 KMT2A (0.49) MEN1KMT2ARAB9AHPGDKDM4E
SCHEMBL13338298 0.77 PDE10A (0.51) MEN1KMT2AKDM4EPDE10AALDH1A1
SCHEMBL17596557 0.75 SMN1; SMN2 (0.50) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL38665320 0.75 PDE10A (0.44) MEN1KMT2APDE10AMAPTTSHR
SCHEMBL5705535 0.75 MAPT (0.50) MEN1KMT2ANPC1RAB9AHPGD

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 MEN1 225/4885KMT2A 3398/4885NPC1 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.