SCHEMBL10074445

SCHEMBL10074445

CCC(=O)C12CCCC1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NT5E P21589 2/20 0.57
PTPN1 P18031 6/20 0.46
ACP1 P24666 2/20 0.46
PTPRF P10586 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EGLN2 Q96KS0 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
F3 P13726 2/20 0.40
PNLIP P16233 1/20 0.40
PTPN2 P17706 1/20 0.40
NOS2 P35228 1/20 0.40
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALB P02768 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL14344859 0.88 GPBAR1 (0.66) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL19338166 0.88 GPBAR1 (0.66) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL25466390 0.81 GPBAR1 (0.49) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL12386420 0.81 GPBAR1 (0.82) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL21149779 0.80 LMNA (0.53) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL13759952 0.80 LMNA (0.52) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL13759951 0.80 LMNA (0.52) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL19415286 0.80 LMNA (0.49) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL15947464 0.80 LMNA (0.49) GPBAR1LMNASMN1; SMN2NT5EPTPN1
SCHEMBL19338168 0.78 LMNA (0.50) GPBAR1LMNASMN1; SMN2NT5EPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088757-B2 Betulinol derivatives as anti-cancer agents BIORINGS LLC (US) 2012-01-03 US disclosed
US-20090176753-A1 Betulinol derivatives as anti-cancer agents SAXENA RESEARCH, LLC 2009-07-09 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-20090176753-A1 Betulinol derivatives as anti-cancer agents BET1, BRDT, BRCA1 GPBAR1 650/4885LMNA 3645/4885SMN1; SMN2 1909/4885

“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.