SCHEMBL14134563

SCHEMBL14134563

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(CC)C5CCC43C)C12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 0.81
▸ LMNA P02545 2/20 0.81
▸ NT5E P21589 2/20 0.81
▸ SMN1; SMN2 Q16637 1/20 0.81
▸ PTPN1 P18031 2/20 0.66
▸ GLI1 P08151 2/20 0.66
▸ USP2 O75604 1/20 0.66
▸ HIF1A Q16665 1/20 0.66
▸ AKR1B10 O60218 1/20 0.66
▸ ALB P02768 1/20 0.66
▸ POLB P06746 1/20 0.66
▸ AKR1B1 P15121 1/20 0.66
▸ DPP4 P27487 1/20 0.66
▸ RORC P51449 1/20 0.66
▸ SAE1 Q9UBE0 1/20 0.66
▸ UBA2 Q9UBT2 1/20 0.66
▸ CES2 O00748 2/20 0.66
▸ CES1 P23141 2/20 0.66
▸ F3 P13726 1/20 0.66
▸ RELA Q04206 1/20 0.64

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
SCHEMBL14554324 1.00 GPBAR1 (0.81) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL14023068 0.94 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL15450723 0.94 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL14554424 0.94 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL13184576 0.94 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL3507861 0.94 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL30688063 0.94 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL16704974 0.94 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL14134274 0.94 GPBAR1 (0.80) GPBAR1LMNANT5ESMN1; SMN2PTPN1
SCHEMBL16704634 0.94 GPBAR1 (0.70) GPBAR1LMNANT5ESMN1; SMN2PTPN1

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-20120302530-A1 23-HYDROXY-BETULINIC ACID DERIVATIVES, PREPARATION METHODS AND USES THEREOF SUZHOU MAIDIXIAN PHARMACEUTICAL INC. (CN) 2012-11-29 — — 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-20120302530-A1 23-HYDROXY-BETULINIC ACID DERIVATIVES, PREPARATION METHODS AND USES THEREOF IL23R, BET1, IL17A GPBAR1 385/4885LMNA 2582/4885NT5E 936/4885

“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.

Send feedback