SCHEMBL961465

SCHEMBL961465

CC1(C)[C@@H](C(=O)N2CCOCC2)C[C@H]1N(C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL962195 0.88 HPGD (0.32) ALDH1A1NPSR1L3MBTL1SMN1; SMN2HPGD
SCHEMBL960881 0.86 HPGD (0.34) ALDH1A1NPSR1L3MBTL1SMN1; SMN2HPGD
SCHEMBL964784 0.82 HSD11B1 (0.42) LMNAMEN1KMT2A
SCHEMBL964786 0.82 HSD11B1 (0.42) LMNAMEN1KMT2A
SCHEMBL962557 0.73 ALDH1A1 (0.48) ALDH1A1NPSR1L3MBTL1MAPTSMN1; SMN2
SCHEMBL12915012 0.72 ALDH1A1 (0.51) ALDH1A1NPSR1L3MBTL1MAPTGAA
SCHEMBL12915000 0.72 ALDH1A1 (0.51) ALDH1A1NPSR1L3MBTL1MAPTGAA
SCHEMBL17044845 0.72
SCHEMBL19666475 0.71 POLB (0.51) ALDH1A1NPSR1L3MBTL1MAPTRECQL
SCHEMBL19666476 0.71 POLB (0.51) ALDH1A1NPSR1L3MBTL1MAPTRECQL

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-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 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-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS ALDH1A1 4653/4885NPSR1 2447/4885L3MBTL1 1560/4885

“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.