SCHEMBL19626331

SCHEMBL19626331

Cc1nc2c(C)nc(C)c(C)c2s1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL19626332 0.81 KDM4E (0.36) KDM4EMAPK1HSD17B10NPC1RAB9A
SCHEMBL14699733 0.79 HSD17B10 (0.41) KDM4EMAPK1HSD17B10NPC1RAB9A
SCHEMBL77254 0.77 HSD17B10 (0.39) KDM4EMAPK1HSD17B10NPC1RAB9A
SCHEMBL19267555 0.77 HSD17B10 (0.39) KDM4EMAPK1HSD17B10NPC1RAB9A
SCHEMBL10093847 0.74 TLR8 (0.38) TLR8TLR7
SCHEMBL19626330 0.73 HSD17B10 (0.37) KDM4EMAPK1HSD17B10NPC1RAB9A
SCHEMBL19626328 0.71 CDC7 (0.36)
SCHEMBL19821654 0.70 KDM4E (0.33) KDM4EMAPK1HSD17B10NPC1RAB9A
SCHEMBL21166579 0.70 KDM4E (0.35) KDM4EMAPK1HSD17B10NPC1RAB9A
SCHEMBL12109854 0.68 HTT (0.46) KDM4EMAPK1HSD17B10NPC1RAB9A

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-20180099921-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME ZEON CORPORATION (JP) 2018-04-12 US disclosed
US-20170335193-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, FLAT PANEL DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE, AND ANTI-REFLECTION FILM ZEON CORPORATION (JP) 2017-11-23 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 (2 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-20180099921-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME DDT, CA4, DNMT3B KDM4E 1194/4885MAPK1 3207/4885HSD17B10 1936/4885
US-20170335193-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, FLAT PANEL DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE, AND ANTI-REFLECTION FILM NR2E3, NR3C2, NR2C2 KDM4E 3822/4885MAPK1 2177/4885HSD17B10 1389/4885

“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.