SCHEMBL4193078

SCHEMBL4193078

CC(C)(CC(=O)Cl)CC(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLA P06280 1/20 0.41
FKBP1A P62942 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL8379974 0.86 L3MBTL1 (0.48) L3MBTL1TSHRLMNAPOLBALDH1A1
SCHEMBL19200319 0.83 TSHR (0.49) L3MBTL1TSHRLMNAPOLBALDH1A1
SCHEMBL5527414 0.81 L3MBTL1 (0.47) L3MBTL1TSHRLMNAPOLBALDH1A1
SCHEMBL18845159 0.81 L3MBTL1 (0.47) L3MBTL1TSHRLMNAPOLBALDH1A1
SCHEMBL18922367 0.80 POLB (0.49) L3MBTL1TSHRLMNAPOLBALDH1A1
SCHEMBL3072006 0.80 L3MBTL1 (0.53) L3MBTL1TSHRLMNAPOLBALDH1A1
SCHEMBL8749058 0.80 L3MBTL1 (0.53) L3MBTL1TSHRLMNAPOLBALDH1A1
SCHEMBL19182655 0.79 L3MBTL1 (0.48) L3MBTL1TSHRLMNAPOLBALDH1A1
SCHEMBL8749053 0.78 SMN1; SMN2 (0.52) L3MBTL1TSHRLMNAPOLBALDH1A1
SCHEMBL8488650 0.78 L3MBTL1 (0.52) L3MBTL1TSHRLMNAPOLBALDH1A1

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
EP-1828223-A4 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS INC (US) 2009-03-11 EP disclosed
EP-1828223-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF Panacos Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 US disclosed
WO-2006053255-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS, INC. (US) 2006-05-18 WO 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-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof BET1, PGGT1B, TMPO L3MBTL1 4879/4885TSHR 4184/4885LMNA 3393/4885

“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.