SCHEMBL20640607

SCHEMBL20640607

CC(C)(C)[Si](C)(C)OC(CC=O)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
BLM P54132 1/20 0.38
CASP1 P29466 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
HSD11B1 P28845 1/20 0.31
IDO1 P14902 1/20 0.31
AOC3 Q16853 1/20 0.31
APLNR P35414 2/20 0.30
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
MCL1 Q07820 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GLS O94925 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
SCHEMBL31257320 1.00 ADRB2 (0.38) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL20854975 0.86 CYP2D6 (0.38) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL18783308 0.85 ADRB2 (0.38) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL30955343 0.83 APLNR (0.38) IDO1APLNR
SCHEMBL20640590 0.83 APLNR (0.38) IDO1APLNR
SCHEMBL20867772 0.82 ADRB2 (0.42) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL31303160 0.82 ADRB2 (0.42) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL25976079 0.82 ADRB2 (0.42) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL2500618 0.81 ADRB2 (0.44) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL31303155 0.81 ADRB2 (0.44) ADRB2ADRB1CYP2D6NFKB1HIF1A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ADRB2 392/4885ADRB1 346/4885CYP2D6 77/4885
US-20210139504-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 ADRB2 392/4885ADRB1 346/4885CYP2D6 77/4885
US-10975095-B2 CYP1B1, UGT1A1, CYP4B1 ADRB2 151/4885ADRB1 135/4885CYP2D6 20/4885
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof HSD17B7, CYP11B1, CYP11B2 ADRB2 392/4885ADRB1 346/4885CYP2D6 77/4885
US-20240300974-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 ADRB2 392/4885ADRB1 346/4885CYP2D6 77/4885

“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.