SCHEMBL20858655

SCHEMBL20858655

Cn1ccn(C2CCCCCCCCC2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 2/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 2/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL1574229 0.90 CYP11B2 (0.33) ALDH1A1MAPK1
SCHEMBL9120305 0.73 ALDH1A1 (0.40) GSK3AGSK3BALDH1A1MAPK1SMN1; SMN2
SCHEMBL6926598 0.70 CCNE1 (0.41) GSK3AGSK3BALDH1A1CCNE1CDK2
SCHEMBL19309154 0.68 PDE1C (0.44) KMT2A
SCHEMBL4226383 0.67 SLC18A3 (0.32) ALDH1A1SMN1; SMN2CYP2C9CYP3A4KMT2A
Carbon Monoxide SCHEMBL8152719 0.67 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CYP2C9CYP3A4KMT2A
SCHEMBL27339559 0.67 LPO (0.44) GSK3AGSK3BCYP2C9CYP2C19KDM4E
SCHEMBL2195541 0.66
SCHEMBL2194989 0.66
SCHEMBL27831183 0.66 POLB (0.38) ALDH1A1MAPK1SMN1; SMN2CYP2C9CYP3A4

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-10245559-B2 Nanofiltration membranes and methods of use NOVOMER, INC. (US) 2019-04-02 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-10245559-B2 Nanofiltration membranes and methods of use MLEC, EPCAM, LNPK GSK3A 4470/4885GSK3B 4578/4885ALDH1A1 1130/4885

“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.