SCHEMBL960881

SCHEMBL960881

CC1(C)[C@@H](C(=O)N2CCCCC2)C[C@H]1N(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.34
HSD11B1 P28845 3/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
DPP4 P27487 1/20 0.31
PREP P48147 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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 0.99 HPGD (0.32) HPGDHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL961465 0.86 ALDH1A1 (0.45) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL964784 0.84 HSD11B1 (0.42) HSD11B1MEN1KMT2A
SCHEMBL964786 0.84 HSD11B1 (0.42) HSD11B1MEN1KMT2A
SCHEMBL23826225 0.75
SCHEMBL23826227 0.75
SCHEMBL17044845 0.74
SCHEMBL963061 0.72 KMT2A (0.41) HPGDALDH1A1MEN1KMT2ADPP4
SCHEMBL12915006 0.71 HPGD (0.44) HPGDHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL12915170 0.71 HPGD (0.44) HPGDHSD11B1ALDH1A1MEN1KMT2A

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 HPGD 2521/4885HSD11B1 115/4885ALDH1A1 4653/4885

“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.