SCHEMBL17280949

SCHEMBL17280949

CCCc1c(C)nc(C)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
KDM5A P29375 1/20 0.33
NOS2 P35228 1/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE2A O00408 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE3A Q14432 1/20 0.30
PDE10A Q9Y233 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL17280957 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDGAAKDM5A
SCHEMBL25675415 0.79 CDC7 (0.34) ALDH1A1KDM4EHPGDGAAKDM5A
SCHEMBL17280955 0.74 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDGAAKDM5A
SCHEMBL14032726 0.72 KDM4E (0.34) ALDH1A1KDM4EHPGD
SCHEMBL442607 0.72
SCHEMBL14032490 0.72
SCHEMBL27719435 0.72 NOS2 (0.34) ALDH1A1KDM4EHPGDGAANOS2
SCHEMBL9286486 0.70 TLR8 (0.52) NOS2TLR8TLR7
SCHEMBL17280944 0.70 MAPK1 (0.31) KDM4EPOLB
SCHEMBL17280956 0.69 HRH4 (0.32) KDM4ENOS2TLR8TLR7HTT

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-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 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-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES ESR1, EPX, SDHB ALDH1A1 468/4885KDM4E 3138/4885HPGD 1225/4885

“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.