SCHEMBL4092900

SCHEMBL4092900

COC(=O)/C=C/[C@@H]1COC(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 2/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ATP12A P54707 1/20 0.30

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
SCHEMBL3989026 1.00 HCAR2 (0.39) HCAR2KEAP1NFE2L2L3MBTL1CA2
SCHEMBL29347465 1.00 HCAR2 (0.39) HCAR2KEAP1NFE2L2L3MBTL1CA2
SCHEMBL3989029 1.00 HCAR2 (0.39) HCAR2KEAP1NFE2L2L3MBTL1CA2
SCHEMBL4092901 1.00 HCAR2 (0.39) HCAR2KEAP1NFE2L2L3MBTL1CA2
SCHEMBL28890099 1.00 HCAR2 (0.39) HCAR2KEAP1NFE2L2L3MBTL1CA2
SCHEMBL3989031 1.00 HCAR2 (0.39) HCAR2KEAP1NFE2L2L3MBTL1CA2
SCHEMBL4425298 0.83 L3MBTL1 (0.45) HCAR2L3MBTL1CA2ALDH1A1HSD17B10
SCHEMBL3988831 0.83 L3MBTL1 (0.45) HCAR2L3MBTL1CA2ALDH1A1HSD17B10
SCHEMBL18312447 0.83 HCRTR2 (0.33) HCRTR2
SCHEMBL4422593 0.83 L3MBTL1 (0.45) HCAR2L3MBTL1CA2ALDH1A1HSD17B10

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-20240239812-A1 MACROCYCLIC 2-ALLYLTETRAHYDROFURANS AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240239812-A1 MACROCYCLIC 2-ALLYLTETRAHYDROFURANS AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
EP-1669353-B1 Process for preparing alpha, beta - unsaturated esters DAISO CO LTD (JP) 2009-05-20 EP disclosed
US-7208634-B2 Oxidation method of primary or secondary alcohol DAISO CO., LTD. (JP) 2007-04-24 US disclosed
EP-1669353-A1 Process for preparing alpha, beta - unsaturated ester DAISO CO., LTD. (JP) 2006-06-14 EP disclosed
US-20060122434-A1 Novel oxidation method of primary or secondary alcohol OSAKA SODA CO., LTD. (JP) 2006-06-08 US disclosed
EP-1666441-A1 Oxidation method for primary or secondary alcohols DAISO CO., LTD. (JP) 2006-06-07 EP 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-20240239812-A1 MACROCYCLIC 2-ALLYLTETRAHYDROFURANS AS INHIBITORS OF MCL-1 MCL1, BCLAF1, BAK1 HCAR2 4191/4885KEAP1 52/4885NFE2L2 208/4885
US-20060122434-A1 Novel oxidation method of primary or secondary alcohol CBR3, CBR1, AOX1 HCAR2 1519/4885KEAP1 520/4885NFE2L2 33/4885

“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.