SCHEMBL12125024

SCHEMBL12125024

[C-]#[N+]C1=C[C@]2(C)C3=CC(=O)C4C5CC(C)(C)CC[C@]5(C(=C)OC)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 5/20 0.63
▸ MBOAT4 Q96T53 4/20 0.63
▸ USP7 Q93009 2/20 0.63
▸ STAT3 P40763 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ NOS2 P35228 8/20 0.59
▸ KEAP1 Q14145 2/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ RORC P51449 1/20 0.56
▸ CCR6 P51684 1/20 0.51

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
SCHEMBL83735 1.00 NFE2L2 (0.63) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL84163 0.92 NFE2L2 (0.74) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL12200341 0.92 NFE2L2 (0.74) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL84160 0.91 NOS2 (0.63) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL12447444 0.90 NFE2L2 (0.62) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL82937 0.89 CYP3A4 (0.73) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL12447479 0.89 CYP3A4 (0.73) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL82945 0.89 NOS2 (0.73) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL13393866 0.89 CYP3A4 (0.73) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL12136833 0.89 NOS2 (0.73) NFE2L2MBOAT4USP7STAT3USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080465-A1 METHODS OF TREATING AND PREVENTING ENDOTHELIAL DYSFUNCTION USING BARDOXOLONE METHYL OR ANALOGS THEREOF REATA PHARMACEUTICALS, INC. (US) 2015-03-19 — — US disclosed
US-8921340-B2 Methods for using synthetic triterpenoids in the treatment of bone or cartilage diseases or conditions TRUSTEES OF DARTMOUTH COLLEGE (US) 2014-12-30 — — US disclosed
US-20110281955-A1 METHODS OF TREATING OBESITY USING ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS (US) 2011-11-17 — — 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-20110281955-A1 METHODS OF TREATING OBESITY USING ANTIOXIDANT INFLAMMATION MODULATORS TXNRD2, HMOX1, GPX4 NFE2L2 12/4885MBOAT4 92/4885USP7 1458/4885
US-20150080465-A1 METHODS OF TREATING AND PREVENTING ENDOTHELIAL DYSFUNCTION USING BARDOXOLONE METHYL OR ANALOGS THEREOF EDNRA, EDNRB, CYP11B1 NFE2L2 101/4885MBOAT4 1348/4885USP7 1681/4885

“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