SCHEMBL21996145

SCHEMBL21996145

CCCOc1ccc2[nH]c3c(c2c1)CCCC3NC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.58
PRMT5 O14744 2/20 0.52
GAA P10253 1/20 0.46
CASP6 P55212 1/20 0.46
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
SIRT1 Q96EB6 1/20 0.44
BRD3 Q15059 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CDC42 P60953 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
SCHEMBL21996131 0.99 RB1 (0.58) RB1PRMT5GAACASP6MEN1
SCHEMBL21998621 0.86 CYP2D6 (0.53) PRMT5GAACASP6MEN1GLA
SCHEMBL21996536 0.84 GAA (0.67) PRMT5GAACASP6MEN1GLA
SCHEMBL21996119 0.83 RB1 (0.60) RB1PRMT5GAACASP6MEN1
SCHEMBL21998616 0.82 PRMT5 (0.54) RB1PRMT5GAACASP6HTR1D
SCHEMBL21998617 0.80 PRMT5 (0.57) PRMT5GAACASP6HTR1DHTR1B
SCHEMBL4163723 0.78 RB1 (0.69) RB1PRMT5GAACASP6MEN1
SCHEMBL21998619 0.77 RB1 (0.68) RB1PRMT5GAACASP6MEN1
SCHEMBL5454792 0.77 RB1 (0.60) RB1PRMT5GAACASP6MEN1
SCHEMBL5394699 0.76 RB1 (0.69) RB1PRMT5GAACASP6MEN1

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 RB1 903/4885PRMT5 691/4885GAA 1007/4885

“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.