SCHEMBL12461232

SCHEMBL12461232

CCOC(=O)C1CC(CC)=NO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MIF P14174 3/20 0.36
▸ PPM1B O75688 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PPP1CC P36873 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MLYCD O95822 1/20 0.34

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
SCHEMBL12461336 0.87 CYP4F2 (0.36) CYP4F2CYP4A11ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL25399110 0.86 CYP4F2 (0.35) CYP4F2CYP4A11ALDH1A1KDM4EMEN1
SCHEMBL20645838 0.85 MIF (0.50) HPGDMIFCA1CA2HTT
SCHEMBL4764842 0.83 ALDH1A1 (0.38) CYP4F2CYP4A11ALDH1A1KDM4EMEN1
SCHEMBL473028 0.81 CA1 (0.38) CYP4F2CYP4A11ALDH1A1KDM4EMEN1
SCHEMBL10128627 0.81 ALDH1A1 (0.37) CYP4F2CYP4A11ALDH1A1KDM4EMEN1
SCHEMBL24517975 0.80 TSHR (0.43) CYP4F2CYP4A11MEN1KMT2ATDP1
SCHEMBL25395918 0.79 MEN1 (0.43) ALDH1A1MEN1KMT2ATSHR
SCHEMBL25398102 0.79 MLYCD (0.41) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL20640509 0.78 TDP1 (0.31) CYP4F2CYP4A11MAPTTDP1MLYCD

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 14 patents. 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
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
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof GENENTECH, INC. (US) 2023-12-05 — — US disclosed
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-05-13 — — US disclosed
US-10975095-B2 — — 2021-04-13 — — US disclosed
EP-3652178-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2020-05-20 — — EP 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
WO-2019012063-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2019-01-17 — — WO disclosed
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-08-13 — — US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 — — 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 (6 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-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES CBR3, CYP3A7, PRDX3 CYP4F2 72/4885CYP4A11 675/4885ALDH1A1 636/4885
US-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 CYP4F2 99/4885CYP4A11 20/4885ALDH1A1 184/4885
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 CYP4F2 99/4885CYP4A11 20/4885ALDH1A1 184/4885
US-10975095-B2 — CYP1B1, UGT1A1, CYP4B1 CYP4F2 72/4885CYP4A11 17/4885ALDH1A1 286/4885
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof HSD17B7, CYP11B1, CYP11B2 CYP4F2 99/4885CYP4A11 20/4885ALDH1A1 184/4885
US-20240300974-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 CYP4F2 99/4885CYP4A11 20/4885ALDH1A1 184/4885

“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.

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