SCHEMBL17480809

SCHEMBL17480809

CCc1cc(CNC)cc(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.31
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL17480806 0.92 KDM4E (0.39) NOS3NOS1CYP3A4KDM4EMAPT
SCHEMBL9734683 0.85 PTGS2 (0.36) MAPT
SCHEMBL10526433 0.83 PTGS2 (0.32)
SCHEMBL14606816 0.80 PTGS2 (0.36) MAPT
SCHEMBL22446844 0.77 NOS1 (0.39) NOS3NOS1CYP3A4KDM4EMAPT
SCHEMBL19629185 0.76 NPC1 (0.30) CYP2D6
SCHEMBL24926425 0.75 GABRA1 (0.34) MAPT
SCHEMBL15249714 0.75 PLG (0.33) LOXL2
SCHEMBL13339967 0.75 KDM4E (0.52) NOS3NOS1CYP3A4KDM4EMAPT
SCHEMBL24991856 0.72 GSR (0.48) KDM4EMAPTCYP2D6

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-20230255240-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE AS ANIMAL FEED AND METHODS OF PRODUCING THEREOF MIDORI USA, INC. 2023-08-17 US disclosed
US-20160032038-A1 POLYMERIC IONIC SALT CATALYSTS AND METHODS OF PRODUCING THEREOF MIDORI USA, INC. (US) 2016-02-04 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-20230255240-A1 OLIGOSACCHARIDE COMPOSITIONS FOR USE AS ANIMAL FEED AND METHODS OF PRODUCING THEREOF FUT5, FUT6, OSTC NOS3 999/4885NOS1 1301/4885CYP3A4 4177/4885

“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.