SCHEMBL20640965

SCHEMBL20640965

CC(C)(C)[Si](C)(C)OC(CC=O)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.35
APLNR P35414 2/20 0.34
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.31
CYP2D6 P10635 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL13608245 0.86 CA2 (0.36) AOC3APLNRCA2MMP1CYP2D6
SCHEMBL20854970 0.85 AOC3 (0.35) AOC3APLNRCA2SLC6A2
SCHEMBL20640547 0.85 CA2 (0.34) APLNRCA2SLC6A4SLC6A3
SCHEMBL20640531 0.85 APLNR (0.37) APLNRCA2
SCHEMBL31410606 0.83 APLNR (0.32) APLNRCA2
SCHEMBL18192822 0.81 APLNR (0.40) APLNRCA2
SCHEMBL31257263 0.81 APLNR (0.39) APLNRCA2
SCHEMBL20640522 0.81 APLNR (0.39) APLNRCA2
SCHEMBL3499175 0.80 AOC3 (0.37) AOC3APLNRCA2SLC6A2SLC6A4
SCHEMBL16843269 0.80 AOC3 (0.37) AOC3APLNRCA2SLC6A2SLC6A4

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 17 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-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-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-05-13 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

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-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 AOC3 1501/4885APLNR 4553/4885CA2 2835/4885
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 AOC3 1501/4885APLNR 4553/4885CA2 2835/4885
US-10975095-B2 CYP1B1, UGT1A1, CYP4B1 AOC3 3022/4885APLNR 3132/4885CA2 3581/4885
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof HSD17B7, CYP11B1, CYP11B2 AOC3 1501/4885APLNR 4553/4885CA2 2835/4885
US-20240300974-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 AOC3 1501/4885APLNR 4553/4885CA2 2835/4885

“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.