SCHEMBL18177907

SCHEMBL18177907

CC(C)(C)CNC(=O)CN1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 1/20 0.54
SIGMAR1 Q99720 3/20 0.50
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.45
PSMB5 P28074 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL8063156 0.98 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TDP1SIGMAR1GAA
SCHEMBL8059112 0.84 SIGMAR1 (0.50) ALDH1A1SMN1; SMN2SIGMAR1GAAPOLB
SCHEMBL8059039 0.82 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL2928831 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TDP1GAAL3MBTL1
SCHEMBL25570287 0.81 HTT (0.55) ALDH1A1SMN1; SMN2TDP1SIGMAR1POLB
SCHEMBL2924557 0.79 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2TDP1GAAL3MBTL1
SCHEMBL19958938 0.77 SIGMAR1 (0.43) ALDH1A1SMN1; SMN2TDP1SIGMAR1
SCHEMBL24926262 0.77 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1SIGMAR1GAA
SCHEMBL12454178 0.77 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1SIGMAR1GAA
SCHEMBL24926282 0.77 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2TDP1SIGMAR1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 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 (3 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 ALDH1A1 1121/4885SMN1; SMN2 4517/4885TDP1 4102/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 ALDH1A1 1121/4885SMN1; SMN2 4517/4885TDP1 4102/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 ALDH1A1 1121/4885SMN1; SMN2 4517/4885TDP1 4102/4885

“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.