SCHEMBL21565699

SCHEMBL21565699

CC(C)c1cc(-c2ccc3c(c2)OCO3)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 10/20 0.51
ALDH1A1 P00352 7/20 0.51
HSD17B10 Q99714 6/20 0.51
CYP1A2 P05177 6/20 0.51
CYP3A4 P08684 6/20 0.51
CYP2D6 P10635 5/20 0.51
CYP2C19 P33261 5/20 0.51
LMNA P02545 3/20 0.51
ALOX15 P16050 2/20 0.51
USP2 O75604 1/20 0.51
CASP7 P55210 1/20 0.51
KDM4E B2RXH2 4/20 0.50
POLB P06746 2/20 0.50
DYRK1A Q13627 5/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
ADORA3 P0DMS8 4/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46

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
SCHEMBL21565688 0.89 CLK4 (0.49) CLK4ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL18650958 0.80 CLK4 (0.58) CLK4ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL10187283 0.77 ADORA2A (0.57) CLK4ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL15533860 0.77 CLK4 (0.57) CLK4ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL19596599 0.73 CLK4 (0.51) CLK4ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL17788472 0.73 NPC1 (0.60) LMNATP53SMN1; SMN2HPGDNPC1
SCHEMBL14741834 0.72 KMO (0.57) CLK4ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL20380088 0.72 KDM4E (0.59) CLK4ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL30501033 0.72 KDM4E (0.59) CLK4ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL21565691 0.71 CLK4 (0.50) CLK4ALDH1A1HSD17B10CYP1A2CYP3A4

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-20210015793-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2021-01-21 US disclosed
US-20190343802-A1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH Zürich (CH) 2019-11-14 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 (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-20190343802-A1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE SRPK2, SRSF2, SRPK1 CLK4 1774/4885ALDH1A1 3877/4885HSD17B10 1904/4885
US-20210015793-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES PPT1, SPTLC1, LPCAT1 CLK4 3816/4885ALDH1A1 712/4885HSD17B10 1718/4885

“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.