SCHEMBL17035823

SCHEMBL17035823

CCCC(NC(C)=O)[C@H](O)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
LMNA P02545 1/20 0.34
PLA2G2C Q5R387 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL17035693 1.00 MAPT (0.38) MAPTTP53CYP1A2CYP2D6CYP2C9
SCHEMBL11752287 0.83 CHRM1 (0.38) MAPK1HDAC7HDAC8HDAC6HDAC9
SCHEMBL16580156 0.81 MAPT (0.39) MAPTTP53CYP1A2CYP2D6CYP2C9
SCHEMBL14626394 0.78 TAS1R3 (0.42) MAPTTP53CYP1A2CYP2D6CYP2C9
SCHEMBL13813659 0.78 MEN1 (0.51) MAPTTP53CYP1A2CYP2D6CYP2C9
SCHEMBL17035694 0.78 MAPT (0.37) MAPTTP53CYP1A2CYP2D6CYP2C9
SCHEMBL3351963 0.78 CHRM1 (0.41) MAPTTP53CYP1A2CYP2D6CYP2C9
SCHEMBL17035805 0.78 MAPT (0.37) MAPTTP53CYP1A2CYP2D6CYP2C9
SCHEMBL13652931 0.77 TP53 (0.41) MAPTTP53CYP1A2CYP2D6CYP2C9
SCHEMBL14818668 0.77 METAP1 (0.38) MAPTTP53CYP1A2CYP2D6CYP2C9

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-20150238597-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-08-27 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-20150238597-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES STT3B, STT3A, DDOST MAPT 1137/4885TP53 1476/4885CYP1A2 4040/4885

“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.