SCHEMBL9888477

SCHEMBL9888477

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
NT5E P21589 2/20 0.63
GPBAR1 Q8TDU6 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
GLI1 P08151 2/20 0.59
RELA Q04206 1/20 0.59
PTPN1 P18031 2/20 0.58
USP2 O75604 1/20 0.58
HIF1A Q16665 1/20 0.58
AKR1B10 O60218 1/20 0.58
ALB P02768 1/20 0.58
POLB P06746 1/20 0.58
AKR1B1 P15121 1/20 0.58
DPP4 P27487 1/20 0.58
RORC P51449 1/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58

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
SCHEMBL18124324 1.00 LMNA (0.63) LMNANT5EGPBAR1SMN1; SMN2GLI1
SCHEMBL18124326 1.00 LMNA (0.63) LMNANT5EGPBAR1SMN1; SMN2GLI1
SCHEMBL9888523 0.94 LMNA (0.55) LMNANT5EGPBAR1SMN1; SMN2
SCHEMBL14682840 0.93 LMNA (0.63) LMNANT5EGPBAR1SMN1; SMN2GLI1
SCHEMBL9107874 0.93
SCHEMBL9888601 0.93
SCHEMBL14682807 0.93 LMNA (0.62) LMNANT5EGPBAR1SMN1; SMN2
SCHEMBL9106661 0.92 LMNA (0.61) LMNANT5EGPBAR1SMN1; SMN2GLI1
SCHEMBL9106598 0.92 LMNA (0.61) LMNANT5EGPBAR1SMN1; SMN2GLI1
SCHEMBL9889520 0.92 LMNA (0.61) LMNANT5EGPBAR1SMN1; SMN2GLI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754068-B2 Modified C-3 betulinic acid derivatives as HIV maturation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 US disclosed
US-8754068-B2 Modified C-3 betulinic acid derivatives as HIV maturation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 US disclosed
US-20120142707-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-20120142707-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
WO-2011153315-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-08 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-20120142707-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BET1, BIRC3, CYTH3 LMNA 1373/4885NT5E 2427/4885GPBAR1 2452/4885

“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.