SCHEMBL20640947

SCHEMBL20640947

COC(=O)C1CC(C(C)C)=NO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 4/20 0.50
▸ HTT P42858 1/20 0.47
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL25061719 0.85 MIF (0.36) MIFHTTPOLBNPC1HPGD
SCHEMBL25061491 0.83 MIF (0.35) MIFHTTPOLBNPC1RAB9A
SCHEMBL25061570 0.82 ALDH1A1 (0.35) MIFHTTHPGDCYP1A2CYP2C19
SCHEMBL27550992 0.82 MIF (0.47) MIFHTTPOLBNPC1HPGD
SCHEMBL25061704 0.80 MIF (0.36) MIFHTTNPC1HPGDRAB9A
SCHEMBL8444142 0.77 MIF (0.58) MIFHTTPOLBCYP1A2CYP2C19
SCHEMBL21066137 0.76 NPC1 (0.33) POLBNPC1RAB9ALMNA
SCHEMBL20640877 0.73 MIF (0.40) MIFHTTCYP1A2CYP2C19NPSR1
SCHEMBL20640929 0.72 MIF (0.50) MIFHTTPOLBHPGDCYP1A2
SCHEMBL20645838 0.72 MIF (0.50) MIFHTTPOLBNPC1HPGD

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 21 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
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-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-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-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-23 — — 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
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
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
WO-2019012063-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2019-01-17 — — WO disclosed
CN-1285352-A Preparation for lignal like material SHIONOGI & CO (JP) 2001-02-28 — — CN 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-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 MIF 2901/4885HTT 2863/4885POLB 2158/4885
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 MIF 2901/4885HTT 2863/4885POLB 2158/4885
US-10975095-B2 — CYP1B1, UGT1A1, CYP4B1 MIF 3173/4885HTT 2124/4885POLB 3258/4885
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof HSD17B7, CYP11B1, CYP11B2 MIF 2901/4885HTT 2863/4885POLB 2158/4885
US-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF CYP4X1, CYP4F11, CBR3 MIF 4762/4885HTT 3448/4885POLB 3229/4885
US-20240300974-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 MIF 2901/4885HTT 2863/4885POLB 2158/4885

“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