SCHEMBL21994103

SCHEMBL21994103

CC(C)Oc1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 1/20 0.55
GAA P10253 1/20 0.52
CASP6 P55212 1/20 0.52
PRMT5 O14744 2/20 0.51
CYP2D6 P10635 2/20 0.48
KCNH2 Q12809 1/20 0.48
SIRT1 Q96EB6 1/20 0.45
BRD3 Q15059 9/20 0.44
MAPKAPK2 P49137 1/20 0.43
CHRM4 P08173 1/20 0.41
DRD2 P14416 1/20 0.41
HTR7 P34969 1/20 0.41
RB1 P06400 1/20 0.40

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
SCHEMBL21998617 0.86 PRMT5 (0.57) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL4187019 0.84 GAA (0.72) CDC42GAACASP6PRMT5CYP2D6
Hydrochloric Acid SCHEMBL4158259 0.83 GAA (0.74) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL5448964 0.82 CDC42 (0.56) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL4196072 0.82 CYP2D6 (0.67) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL5449921 0.82 CDC42 (0.80) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL5447038 0.82 BRD3 (0.63) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL14361488 0.82 CDC42 (0.61) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL21998620 0.81 CYP2D6 (0.57) CDC42GAACASP6PRMT5CYP2D6
SCHEMBL5445892 0.81 CDC42 (0.60) CDC42GAACASP6PRMT5CYP2D6

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-20200147069-A1 Compounds for The Reduction of The Deleterious Activity of Extended Nucleotide Repeat Containing Genes THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY 2020-05-14 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-20200147069-A1 Compounds for The Reduction of The Deleterious Activity of Extended Nucleotide Repeat Containing Genes NSUN2, RNMT, RRM2B CDC42 1897/4885GAA 1007/4885CASP6 2464/4885

“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.