SCHEMBL16248372

SCHEMBL16248372

CNC(=O)CC1(C)OCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 10/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 8/20 0.41
MAPT P10636 4/20 0.37
HPGD P15428 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
APEX1 P27695 1/20 0.37
APOBEC3A P31941 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
LMNA P02545 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MCL1 Q07820 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL7307900 0.81 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPK1KDM4EMAPT
SCHEMBL20708377 0.79 LMNA (0.39) SMN1; SMN2ALDH1A1MAPK1KDM4ETDP1
SCHEMBL11082976 0.77 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPK1KDM4EMAPT
SCHEMBL18231695 0.75 MAPK1 (0.39) ALDH1A1MAPK1LMNA
SCHEMBL4097495 0.75 TSHR (0.39) SMN1; SMN2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL17818836 0.75 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MAPK1KDM4EMAPT
SCHEMBL14176733 0.74 GAA (0.41) SMN1; SMN2ALDH1A1MAPK1KDM4EMAPT
SCHEMBL22223973 0.71 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1MAPK1KDM4EMAPT
SCHEMBL11939846 0.69 GAA (0.41) SMN1; SMN2ALDH1A1MAPK1KDM4EMAPT
SCHEMBL29889521 0.67 ALDH1A1 (0.40) ALDH1A1LMNAMCL1

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-20140343085-A1 USE OF ARYL DERIVATIVES FOR CONTROLLING ECTOPARASITES NOVARTIS AG (CH) 2014-11-20 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-20140343085-A1 USE OF ARYL DERIVATIVES FOR CONTROLLING ECTOPARASITES TYR, CYP2E1, CYP3A43 SMN1; SMN2 3718/4885ALDH1A1 256/4885MAPK1 939/4885

“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.