SCHEMBL13908770

SCHEMBL13908770

CCC(=O)COC(=O)NC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
NFKB1 P19838 1/20 0.43
CHRM3 P20309 1/20 0.43
MAPK1 P28482 1/20 0.43
CHRNA7 P36544 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL9425130 0.81 TDP1 (0.41) TDP1MGAMGAASIMGAM2
SCHEMBL5249485 0.79 EPHX1 (0.45) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL27925026 0.76 TDP1 (0.36) SMN1; SMN2LMNATDP1MGAMGAA
SCHEMBL14067812 0.75 CHRNB2 (0.46) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL12199649 0.75
SCHEMBL42229 0.74
SCHEMBL13324711 0.73
SCHEMBL22776151 0.73 TDP1 (0.43) SMN1; SMN2LMNATDP1MGAMGAA
SCHEMBL13324721 0.73 CHRNB2 (0.45) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL3866745 0.72 TDP1 (0.47) LMNATDP1MGAMGAASI

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303058-B2 Betulonic and betulinic acid derivatives Leunis, Jean-Claude (BE) 2016-04-05 US disclosed
US-20140066416-A1 BETULONIC AND BETULINIC ACID DERIVATIVES Leunis, Jean-Claude (BE) 2014-03-06 US disclosed
US-8586569-B2 Betulonic and betulinic acid derivatives Leunis, Jean-Claude (BE) 2013-11-19 US disclosed
US-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES JEAN-CLAUDE LEUNIS (BE) 2009-03-12 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 (2 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-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES BET1, PGGT1B, PAG1 EPHX1 2252/4885CHRNB2 4834/4885CHRNA4 4670/4885
US-20140066416-A1 BETULONIC AND BETULINIC ACID DERIVATIVES BET1, BCAT1, PGGT1B EPHX1 2677/4885CHRNB2 4800/4885CHRNA4 4559/4885

“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.