SCHEMBL12412858

SCHEMBL12412858

Cc1ccc(-n2c3c4sc(C)cc4sc3c3sc4c5sc6c7sc(C)cc7sc6c5sc4c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
KDM4E B2RXH2 4/20 0.33
PKM P14618 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PKLR P30613 2/20 0.33
ALDH1A1 P00352 5/20 0.33
RAB9A P51151 5/20 0.33
MAPT P10636 5/20 0.33
NPC1 O15118 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
GAA P10253 3/20 0.33
CRHBP P24387 1/20 0.32
MAPK1 P28482 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL12412900 0.91 PKM (0.32) GSK3AGSK3BKDM4EPKMMEN1
SCHEMBL12412859 0.90 PKM (0.36) GSK3AGSK3BKDM4EPKMMEN1
SCHEMBL12412885 0.89 GSK3A (0.32) GSK3AGSK3B
SCHEMBL12413089 0.88 PKM (0.34) GSK3AGSK3BKDM4EPKMMEN1
SCHEMBL12413109 0.85 NPC1 (0.32) GSK3AGSK3BKDM4EALDH1A1RAB9A
SCHEMBL12412899 0.84 PKM (0.35) KDM4EPKMMEN1KMT2APKLR
SCHEMBL12413080 0.83 PKM (0.38) GSK3AGSK3BKDM4EPKMMEN1
SCHEMBL12412966 0.83 GSK3A (0.31) GSK3AGSK3B
SCHEMBL12412820 0.82 PKM (0.34) GSK3AGSK3BKDM4EPKMMEN1
SCHEMBL12413180 0.82 ESR1 (0.37) GSK3AGSK3BMEN1KMT2AALDH1A1

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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SCLY, MSRB3, SOD1 GSK3A 2431/4885GSK3B 1694/4885KDM4E 1286/4885

“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.