SCHEMBL962061

SCHEMBL962061

CC(C)(C)C1(NC(=O)O)CC[C@H](CN2CCOCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
HTR4 Q13639 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
EPHX2 P34913 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
SCHEMBL4136408 0.92 THRB (0.44) THRBSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL966199 0.86 EPHX1 (0.37) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL965370 0.80 HPGD (0.37) SMN1; SMN2LMNAKDM4EKMT2AGAA
SCHEMBL963002 0.80
SCHEMBL965469 0.78 MEN1 (0.48) SMN1; SMN2LMNAKDM4EMEN1KMT2A
SCHEMBL1693053 0.72 CYP1A2 (0.31) CYP1A2
SCHEMBL1693036 0.70
SCHEMBL482045 0.70
SCHEMBL2334924 0.69 CYP2D6 (0.40) LMNACYP2D6
SCHEMBL16936697 0.69

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 THRB 3114/4885SMN1; SMN2 3970/4885LMNA 1173/4885

“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.