SCHEMBL21996536

SCHEMBL21996536

CCCOc1ccc2[nH]c3c(c2c1)CCCC3NCCO

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
CASP6 P55212 1/20 0.67
CDC42 P60953 1/20 0.61
PRMT5 O14744 2/20 0.61
BRD3 Q15059 9/20 0.46
SIRT1 Q96EB6 1/20 0.46
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
PARP1 P09874 1/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42

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 0.87 PRMT5 (0.57) GAACASP6CDC42PRMT5BRD3
SCHEMBL21998621 0.85 CYP2D6 (0.53) GAACASP6CDC42PRMT5BRD3
SCHEMBL21998616 0.85 PRMT5 (0.54) GAACASP6CDC42PRMT5BRD3
SCHEMBL21996145 0.84 RB1 (0.58) GAACASP6CDC42PRMT5BRD3
SCHEMBL21996131 0.83 RB1 (0.58) GAACASP6CDC42PRMT5BRD3
SCHEMBL31497463 0.82 PRMT5 (0.57) GAACASP6CDC42PRMT5BRD3
SCHEMBL12922444 0.79 PRMT5 (0.89) GAACASP6CDC42PRMT5BRD3
SCHEMBL13925739 0.79 GAA (0.73) GAACASP6CDC42PRMT5BRD3
Hydrochloric Acid SCHEMBL4154675 0.78 GAA (0.75) GAACASP6CDC42PRMT5BRD3
SCHEMBL20180909 0.76 CDC42 (1.00) GAACASP6CDC42PRMT5BRD3

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 GAA 1007/4885CASP6 2464/4885CDC42 1897/4885

“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.