SCHEMBL12200341

SCHEMBL12200341

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

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 5/20 0.74
▸ MBOAT4 Q96T53 4/20 0.74
▸ USP7 Q93009 2/20 0.74
▸ STAT3 P40763 2/20 0.74
▸ USP2 O75604 1/20 0.74
▸ RORC P51449 1/20 0.66
▸ NOS2 P35228 7/20 0.60
▸ KEAP1 Q14145 2/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ CCR6 P51684 1/20 0.52

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
SCHEMBL84163 1.00 NFE2L2 (0.74) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL12125024 0.92 NFE2L2 (0.63) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL83735 0.92 NFE2L2 (0.63) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL15382999 0.92 NFE2L2 (0.74) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL15382991 0.92 NFE2L2 (0.74) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL12447444 0.91 NFE2L2 (0.62) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL82945 0.91 NOS2 (0.73) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL82937 0.91 CYP3A4 (0.73) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL12447479 0.91 CYP3A4 (0.73) NFE2L2MBOAT4USP7STAT3USP2
SCHEMBL13393866 0.91 CYP3A4 (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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290455-B2 CDDO-Me amino acid conjugates and methods of use TRUSTEES OF DARTMOUTH COLLEGE (US) 2016-03-22 — — US disclosed
US-9205113-B2 Synthetic triterpenoids and methods for modulating stem/progenitor cell gene expression TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-12-08 — — US disclosed
US-20150225352-A1 CDDO-ME AMINO ACID CONJUGATES AND METHODS OF USE TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-08-13 — — US disclosed
US-20150104429-A1 SYNTHETIC TRITERPENOIDS AND METHODS FOR MODULATING STEM/PROGENITOR CELL GENE EXPRESSION TRUSTEES OF DARTMOUTH COLLEGE 2015-04-16 — — US disclosed
US-20140377235-A1 METHODS FOR USING SYNTHETIC TRITERPENOIDS IN THE TREATMENT OF BONE OR CARTILAGE DISEASES OR CONDITIONS TRUSTEES OF DARTMOUTH COLLEGE 2014-12-25 — — US disclosed
US-20130122053-A1 SYNTHETIC TRITERPENOIDS AND TRICYCLIC-BIS-ENONES FOR USE IN STIMULATING BONE AND CARTILAGE GROWTH TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-05-16 — — 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-20120283450-A1 COMPOUNDS INCLUDING AN ANTI-INFLAMMATORY PHARMACORE AND METHODS OF USE REATA PHARMACEUTICALS, INC. 2012-11-08 — — US disclosed
US-8299046-B2 Increasing the expression of TGF- beta -dependent genes; inducing new bone formation TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-10-30 — — 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-8034955-B2 triterpenoids such as 2-cyano-3,12-dioxoolean-1,9-dien-28oic acid, used for inhibiting gamma -inteferon-induced nitric oxide production in macrophages; preventing cancer, Alzheimer's disease, Parkinson's disease, inflammatory bowel diseases, and multiple sclerosis TRUSTEES OF DARTMOUTH COLLEGE (US) 2011-10-11 — — US disclosed
US-7863327-B2 Therapeutic compounds and methods of use TRUSTEES OF DARTMOUTH COLLEGE (US) 2011-01-04 — — US disclosed
US-20090048205-A1 COMBINATION THERAPY WITH SYNTHETIC TRITERPENOIDS AND GEMCITABINE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-02-19 — — US disclosed
US-20080233195-A1 SYNTHETIC TRITERPENOIDS AND TRICYCLIC-BIS-ENONES FOR USE IN STIMULATING BONE AND CARTILAGE GROWTH TRUSTEES OF DARTMOUTH COLLEGE (US) 2008-09-25 — — US disclosed
US-20080220057-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE TRUSTEES OF DARTMOUTH COLLEGE (US) 2008-09-11 — — 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 (9 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-20150104429-A1 SYNTHETIC TRITERPENOIDS AND METHODS FOR MODULATING STEM/PROGENITOR CELL GENE EXPRESSION BMP2, BMPR2, BMP4 NFE2L2 1795/4885MBOAT4 4782/4885USP7 3292/4885
US-20140377235-A1 METHODS FOR USING SYNTHETIC TRITERPENOIDS IN THE TREATMENT OF BONE OR CARTILAGE DISEASES OR CONDITIONS BMP2, BMP4, BMP1 NFE2L2 619/4885MBOAT4 2029/4885USP7 3145/4885
US-20130122053-A1 SYNTHETIC TRITERPENOIDS AND TRICYCLIC-BIS-ENONES FOR USE IN STIMULATING BONE AND CARTILAGE GROWTH BMP4, BMP2, BMP1 NFE2L2 1294/4885MBOAT4 2413/4885USP7 4181/4885
US-20090048205-A1 COMBINATION THERAPY WITH SYNTHETIC TRITERPENOIDS AND GEMCITABINE RABGGTB, BAD, PGGT1B NFE2L2 1455/4885MBOAT4 1132/4885USP7 3609/4885
US-20150225352-A1 CDDO-ME AMINO ACID CONJUGATES AND METHODS OF USE DAO, DDO, HAAO NFE2L2 743/4885MBOAT4 217/4885USP7 1432/4885
US-20120245374-A1 Antioxidant Inflammation Modulators: Oleanolic Acid Derivatives with Saturation in the C-Ring HMOX1, ALOX12, ALOX15 NFE2L2 4/4885MBOAT4 650/4885USP7 1310/4885
US-20120283450-A1 COMPOUNDS INCLUDING AN ANTI-INFLAMMATORY PHARMACORE AND METHODS OF USE PTGES, PTGS1, PTGES2 NFE2L2 555/4885MBOAT4 3228/4885USP7 3375/4885
US-20080233195-A1 SYNTHETIC TRITERPENOIDS AND TRICYCLIC-BIS-ENONES FOR USE IN STIMULATING BONE AND CARTILAGE GROWTH BMP4, BMP2, BMP1 NFE2L2 1294/4885MBOAT4 2413/4885USP7 4181/4885
US-20080220057-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE PARK7, MGMT, SNCA NFE2L2 50/4885MBOAT4 1732/4885USP7 2731/4885

“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