SCHEMBL966199

SCHEMBL966199

CCN1CCN(C[C@H]2CCC(NC(=O)O)(C(C)(C)C)C2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.37
EPHX2 P34913 2/20 0.36
HSD11B1 P28845 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
BAZ2A Q9UIF9 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
SCHEMBL962061 0.86 THRB (0.40) EPHX2SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL965370 0.81 HPGD (0.37) SMN1; SMN2KDM4EKMT2AALDH1A1TDP1
SCHEMBL965469 0.79 MEN1 (0.48) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL4136408 0.78 THRB (0.44) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL963002 0.78
SCHEMBL1693036 0.71
SCHEMBL482045 0.71
SCHEMBL2334924 0.70 CYP2D6 (0.40)
SCHEMBL16936697 0.70
SCHEMBL4121883 0.70 CYP2D6 (0.40)

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 EPHX1 2535/4885EPHX2 2429/4885HSD11B1 115/4885

“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.