SCHEMBL22856757

SCHEMBL22856757

CNC(=O)c1ccc(COC(C)=O)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL19940614 0.83 ALDH1A1 (0.51) HTTNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL19002709 0.82 SMN1; SMN2 (0.67) HTTNPC1RAB9AMAPTSMN1; SMN2
Acetyl Sumiki'S Acid SCHEMBL168107 0.81 NPC1 (0.58) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL22856758 0.81 NPC1 (0.54) HTTNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2541634 0.80 ALDH1A1 (0.60) HTTNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL15926026 0.80 ALDH1A1 (0.49) HTTNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28244873 0.80 ALDH1A1 (0.49) HTTNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14062281 0.79 SMN1; SMN2 (0.48) HTTNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12648508 0.78 NPC1 (0.55) HTTNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13451413 0.78 ALDH1A1 (0.62) HTTNPC1RAB9AMAPTSMN1; SMN2

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-10882032-B2 Furan-2,5-dicarboxylic acid purge process EASTMAN CHEMICAL COMPANY (US) 2021-01-05 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-10882032-B2 Furan-2,5-dicarboxylic acid purge process DDC, PCCA, DPYD HTT 3782/4885NPC1 4659/4885RAB9A 3279/4885

“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.