SCHEMBL10175967

SCHEMBL10175967

[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)[C@@H]4[C@@H]5CC(C)(C)CC[C@]5(C(=O)OCc5ccccc5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 4/20 0.57
USP7 Q93009 2/20 0.57
USP2 O75604 1/20 0.57
STAT3 P40763 1/20 0.57
NFE2L2 Q16236 1/20 0.57
NOS2 P35228 7/20 0.56
KEAP1 Q14145 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RORC P51449 1/20 0.51
CCR6 P51684 1/20 0.47

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
SCHEMBL10169657 0.89 NOS2 (0.48) MBOAT4USP7USP2STAT3NFE2L2
SCHEMBL12198292 0.89 MBOAT4 (0.59) MBOAT4USP7USP2STAT3NFE2L2
SCHEMBL12200341 0.87 NFE2L2 (0.74) MBOAT4USP7USP2STAT3NFE2L2
SCHEMBL84163 0.87 NFE2L2 (0.74) MBOAT4USP7USP2STAT3NFE2L2
SCHEMBL13652477 0.87 MBOAT4 (0.77) MBOAT4USP7USP2STAT3NFE2L2
SCHEMBL10225866 0.87 MBOAT4 (0.77) MBOAT4USP7USP2STAT3NFE2L2
SCHEMBL12136833 0.86 NOS2 (0.73) MBOAT4USP7USP2STAT3NFE2L2
SCHEMBL82945 0.86 NOS2 (0.73) MBOAT4USP7USP2STAT3NFE2L2
SCHEMBL84160 0.85 NOS2 (0.63) MBOAT4USP7USP2STAT3NFE2L2
SCHEMBL12447479 0.84 CYP3A4 (0.73) MBOAT4USP7USP2STAT3NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090574-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-RE45325-E1 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-RE45288-E1 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
US-20140179928-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING REATA PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
US-8440820-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20120245374-A1 Antioxidant Inflammation Modulators: Oleanolic Acid Derivatives with Saturation in the C-Ring REATA PHARMACEUTICALS, INC. (US) 2012-09-27 US disclosed
US-8124656-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20110245233-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING REATA PHARMACEUTICALS, INC. 2011-10-06 US disclosed
US-7915402-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with saturation in the C-ring REATA PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-20100056777-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING REATA PHARMACEUTICALS, INC. 2010-03-04 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 (4 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-20120245374-A1 Antioxidant Inflammation Modulators: Oleanolic Acid Derivatives with Saturation in the C-Ring HMOX1, ALOX12, ALOX15 MBOAT4 650/4885USP7 1310/4885USP2 2409/4885
US-20100056777-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING HMOX1, ALOX12, ALOX15 MBOAT4 650/4885USP7 1310/4885USP2 2409/4885
US-20140179928-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING HMOX1, ALOX12, ALOX15 MBOAT4 650/4885USP7 1310/4885USP2 2409/4885
US-20110245233-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING HMOX1, ALOX12, ALOX15 MBOAT4 650/4885USP7 1310/4885USP2 2409/4885

“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.