SCHEMBL965370

SCHEMBL965370

CC1CCCN(C[C@H]2CCC(NC(=O)O)(C(C)(C)C)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
AGTR1 P30556 1/20 0.34
HRH3 Q9Y5N1 7/20 0.34
KDM4E B2RXH2 6/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL966199 0.81 EPHX1 (0.37) ALDH1A1KDM4EKMT2ASMN1; SMN2TDP1
SCHEMBL962061 0.80 THRB (0.40) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL963002 0.74
SCHEMBL965469 0.73 MEN1 (0.48) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL4136408 0.72 THRB (0.44) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL1693036 0.68
SCHEMBL482045 0.68
SCHEMBL16440063 0.68 L3MBTL1 (0.45) HPGDL3MBTL1ALDH1A1LMNAAGTR1
SCHEMBL16440064 0.68 L3MBTL1 (0.45) HPGDL3MBTL1ALDH1A1LMNAAGTR1
SCHEMBL2334924 0.67 CYP2D6 (0.40) LMNA

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
EP-2454270-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS Hetero Research Foundation (IN) 2012-05-23 EP disclosed
WO-2011007230-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 WO disclosed
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 2521/4885L3MBTL1 1560/4885ALDH1A1 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.