SCHEMBL12447463

SCHEMBL12447463

COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]1(C)CC2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.81
USP2 O75604 2/20 0.81
TDP1 Q9NUW8 1/20 0.81
KDM4E B2RXH2 1/20 0.81
ALDH1A1 P00352 1/20 0.81
TP53 P04637 1/20 0.81
MAPT P10636 1/20 0.81
HPGD P15428 1/20 0.81
HSD17B10 Q99714 1/20 0.81
PTPN1 P18031 7/20 0.77
POLB P06746 3/20 0.61
PTPN2 P17706 3/20 0.61
PSMB11 A5LHX3 2/20 0.61
PSMA7 O14818 2/20 0.61
AKR1B10 O60218 2/20 0.61
PLA2G1B P04054 2/20 0.61
PTPRC P08575 2/20 0.61
PTPRF P10586 2/20 0.61
F3 P13726 2/20 0.61
PSMB1 P20618 2/20 0.61

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
Sumaresinolic Acid SCHEMBL15382986 0.90 CYP3A4 (1.00) CYP3A4USP2TDP1KDM4EALDH1A1
Sumaresinolic Acid SCHEMBL12447712 0.90 CYP3A4 (1.00) CYP3A4USP2TDP1KDM4EALDH1A1
Sumaresinolic Acid SCHEMBL14029520 0.90 CYP3A4 (1.00) CYP3A4USP2TDP1KDM4EALDH1A1
SCHEMBL16509940 0.89 PTPN1 (0.72) CYP3A4USP2TDP1KDM4EALDH1A1
Methyl Oleanolate SCHEMBL2871108 0.87 PTPN1 (1.00) USP2PTPN1POLBPTPN2PSMB11
Methyl Oleanolate SCHEMBL15714066 0.87 PTPN1 (1.00) USP2PTPN1POLBPTPN2PSMB11
Methyl Oleanolate SCHEMBL31607219 0.87 PTPN1 (1.00) USP2PTPN1POLBPTPN2PSMB11
Methyl Oleanolate SCHEMBL18688363 0.87 PTPN1 (1.00) USP2PTPN1POLBPTPN2PSMB11
Methyl Oleanolate SCHEMBL21150623 0.87 PTPN1 (1.00) USP2PTPN1POLBPTPN2PSMB11
Methyl Oleanolate SCHEMBL18688663 0.87 PTPN1 (1.00) USP2PTPN1POLBPTPN2PSMB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338618-B2 Antioxidant inflammation modulators: novel derivatives of oleanolic acid REATA PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
US-8338618-B2 Antioxidant inflammation modulators: novel derivatives of oleanolic acid REATA PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
US-20120238767-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID REATA PHARMACEUTICALS, INC. 2012-09-20 US disclosed
US-20120238767-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID REATA PHARMACEUTICALS, INC. 2012-09-20 US disclosed
US-8071632-B2 Antioxidant inflammation modulators: novel derivatives of oleanolic acid REATA PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071632-B2 Antioxidant inflammation modulators: novel derivatives of oleanolic acid REATA PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100048911-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID REATA PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20100048911-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID REATA PHARMACEUTICALS, INC. 2010-02-25 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 (2 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-20120238767-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID ALOX12, NFE2L2, HMOX1 CYP3A4 1940/4885USP2 2219/4885TDP1 3036/4885
US-20100048911-A1 ANTIOXIDANT INFLAMMATION MODULATORS: NOVEL DERIVATIVES OF OLEANOLIC ACID ALOX12, NFE2L2, HMOX1 CYP3A4 1940/4885USP2 2219/4885TDP1 3036/4885

“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.