Hederagenin

Hederagenin

SCHEMBL12968366

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)C2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 1.00
F3 P13726 4/20 1.00
USP7 Q93009 3/20 1.00
USP2 O75604 2/20 1.00
LMNA P02545 1/20 1.00
CYP3A4 P08684 1/20 1.00
SLCO1B3 Q9NPD5 1/20 1.00
SLCO1B1 Q9Y6L6 1/20 1.00
ALOX5 P09917 2/20 0.80
POLB P06746 3/20 0.79
PTPN2 P17706 3/20 0.79
CES1 P23141 3/20 0.79
PSMB11 A5LHX3 2/20 0.79
PSMA7 O14818 2/20 0.79
AKR1B10 O60218 2/20 0.79
PLA2G1B P04054 2/20 0.79
PTPRC P08575 2/20 0.79
PTPRF P10586 2/20 0.79
PSMB1 P20618 2/20 0.79
ACP1 P24666 2/20 0.79

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
Hederagenin SCHEMBL18818579 1.00 PTPN1 (1.00) PTPN1F3USP7USP2LMNA
Hederagenin SCHEMBL359809 1.00 PTPN1 (1.00) PTPN1F3USP7USP2LMNA
Hederagenin SCHEMBL13395362 1.00 PTPN1 (1.00) PTPN1F3USP7USP2LMNA
Hederagenin SCHEMBL29523111 1.00 PTPN1 (1.00) PTPN1F3USP7USP2LMNA
Hederagenin SCHEMBL15382983 1.00 PTPN1 (1.00) PTPN1F3USP7USP2LMNA
Hederagenin SCHEMBL18704478 1.00 PTPN1 (1.00) PTPN1F3USP7USP2LMNA
Hederagenin SCHEMBL12919815 1.00 PTPN1 (1.00) PTPN1F3USP7USP2LMNA
Hederagenin SCHEMBL18293409 1.00 PTPN1 (1.00) PTPN1F3USP7USP2LMNA
Hederagenin SCHEMBL21892153 1.00 PTPN1 (1.00) PTPN1F3USP7USP2LMNA
Hederagenin SCHEMBL14132125 1.00 PTPN1 (1.00) PTPN1F3USP7USP2LMNA

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-9290536-B2 C4 monomethyl triterpenoid derivatives and methods of use thereof REATA PHARMACEUTICALS, INC. (US) 2016-03-22 US disclosed
US-20120252776-A1 C4 Monomethyl Triterpenoid Derivatives and Methods of Use Thereof REATA PHARMACEUTICALS, INC. 2012-10-04 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-20120252776-A1 C4 Monomethyl Triterpenoid Derivatives and Methods of Use Thereof CYP4A11, LTC4S, NOX4 PTPN1 3346/4885F3 77/4885USP7 1424/4885

“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.