SCHEMBL6525291

SCHEMBL6525291

C=CCC(O[Si](C)(C)C(C)(C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.34
RIPK1 Q13546 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL20854970 0.85 AOC3 (0.35) CA2
SCHEMBL14873994 0.85 ATM (0.37) CYP2C19ALOX15L3MBTL1MEN1KMT2A
SCHEMBL20640547 0.84 CA2 (0.34) ALDH1A1MAPTRIPK1L3MBTL1KMT2A
SCHEMBL13189966 0.83 CYP2C19 (0.43) CYP2C19ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL933402 0.83 APLNR (0.36) MEN1KMT2ACA2
SCHEMBL407311 0.82 ATM (0.32) CYP2C19ALDH1A1MAPTKDM4ERIPK1
SCHEMBL5965537 0.81 CYP19A1 (0.32) CYP2C19ALOX5
SCHEMBL6435514 0.81 CYP2C19 (0.41) CYP2C19ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL20645830 0.80 IDO1 (0.38) SMN1; SMN2
SCHEMBL30955354 0.80 IDO1 (0.38) SMN1; SMN2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613408-A Bicyclic ketone compounds and methods of use thereof 豪夫迈·罗氏有限公司 2025-03-14 CN disclosed
CN-110914271-B Bicyclic ketone compounds and methods of use thereof 豪夫迈·罗氏有限公司 2024-12-10 CN disclosed
US-20240300974-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2024-09-12 US disclosed
CN-111201229-B Bicyclic compounds useful as inhibitors of RIP1 kinase 豪夫迈·罗氏有限公司 2024-08-23 CN disclosed
CN-112074519-B Compounds useful as inhibitors of RIP1 kinase for the treatment of, for example, irritable Bowel Syndrome (IBS) 豪夫迈·罗氏有限公司 2024-08-02 CN disclosed
EP-4397309-A2 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2024-07-10 EP disclosed
EP-3652178-B1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2024-01-24 EP disclosed
EP-3781571-B1 N-[4-OXO-2,3-DIHYDRO-PYRIDO[3,2-B][1,4]OXAZEPIN-3-YL]-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RIP1 KINASE INHIBITORS FOR TREATING E.G. IRRITABLE BOWEL SYNDROME (IBS) HOFFMANN LA ROCHE (CH) 2024-01-17 EP disclosed
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof GENENTECH, INC. (US) 2023-12-05 US disclosed
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof GENENTECH, INC. (US) 2023-12-05 US disclosed
US-20200283446-A1 BICYCLIC COMPOUNDS FOR USE AS RIP1 KINASE INHIBITORS GENENTECH, INC. (US) 2020-09-10 US disclosed
CN-111201229-A Bicyclic compounds useful as RIP1 kinase inhibitors 豪夫迈·罗氏有限公司 2020-05-26 CN disclosed
CN-110914271-A Bicyclic ketone compounds and methods of use thereof 豪夫迈·罗氏有限公司 2020-03-24 CN disclosed
US-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-04-04 US disclosed
US-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-04-04 US disclosed
WO-2019012063-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2019-01-17 WO disclosed
US-8263774-B2 Quinoline-oxazoline compounds and their use in oxidation synthesis UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-09-11 US disclosed
US-8263774-B2 Quinoline-oxazoline compounds and their use in oxidation synthesis UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-09-11 US disclosed
US-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 US disclosed
US-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 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 (5 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-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS XDH, OXA1L, AOX1 CYP2C19 152/4885ALDH1A1 421/4885SMN1; SMN2 2877/4885
US-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 CYP2C19 45/4885ALDH1A1 184/4885SMN1; SMN2 3876/4885
US-20200283446-A1 BICYCLIC COMPOUNDS FOR USE AS RIP1 KINASE INHIBITORS RIPK1, RIPK2, RIPK3 CYP2C19 4501/4885ALDH1A1 3998/4885SMN1; SMN2 3019/4885
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof HSD17B7, CYP11B1, CYP11B2 CYP2C19 45/4885ALDH1A1 184/4885SMN1; SMN2 3876/4885
US-20240300974-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 CYP2C19 45/4885ALDH1A1 184/4885SMN1; SMN2 3876/4885

“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.