SCHEMBL5322206

SCHEMBL5322206

C=CCC(O)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
AOC3 Q16853 1/20 0.50
CYP2D6 P10635 2/20 0.49
HIF1A Q16665 2/20 0.49
NFKB1 P19838 1/20 0.49
BLM P54132 1/20 0.47
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP1 P29466 1/20 0.40
HPGD P15428 2/20 0.38
NISCH Q9Y2I1 1/20 0.37
ACP3 P15309 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
IDO1 P14902 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
SCHEMBL31257276 1.00 ADRB2 (0.50) ADRB2ADRB1AOC3CYP2D6HIF1A
SCHEMBL31379005 0.81 ADRB2 (0.50) ADRB2ADRB1AOC3CYP2D6HIF1A
SCHEMBL28418763 0.81 ADRB2 (0.50) ADRB2ADRB1AOC3CYP2D6HIF1A
SCHEMBL13458364 0.78 TSHR (0.44) ADRB1HIF1ANFKB1BLMCYP2C19
SCHEMBL15453109 0.78 CYP2C19 (0.39) CYP2C19ALDH1A1TSHR
SCHEMBL11859856 0.78 ADRB2 (0.37) ADRB2ADRB1AOC3CYP2D6HIF1A
SCHEMBL10903733 0.78 ADRB2 (0.55) ADRB2ADRB1AOC3CYP2D6HIF1A
SCHEMBL20645828 0.77 CES2 (0.41) CYP2D6CYP2C19ALDH1A1CYP2C9CYP3A4
SCHEMBL30955355 0.77 CES2 (0.41) CYP2D6CYP2C19ALDH1A1CYP2C9CYP3A4
SCHEMBL15184714 0.77 GAA (0.41) CYP2D6CYP2C19CYP1A2ALDH1A1CYP2C9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007100182-A1 POLYMER NANOCAPSULES AND THE PROCESS FOR PREPARING THE SAME, AND THE SKIN EXTERNAL COMPOSITION CONTAINING THE NANOCAPSULES AMOREPACIFIC CORPORATION (KR) 2007-09-07 WO claimed
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-11289238-B2 Compositions for the filling of high aspect ratio vertical interconnect access (VIA) holes HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC (US) 2022-03-29 US disclosed
US-20210174983-A1 COMPOSITIONS FOR THE FILLING OF HIGH ASPECT RATIO VERTICAL INTERCONNECT ACCESS (VIA) HOLES HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC 2021-06-10 US disclosed
US-10975095-B2 2021-04-13 US disclosed
US-10975095-B2 2021-04-13 US 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
US-5523495-A REACTING KETONE OR ALDEHYDE WITH A DIHALOPROPENE IN PRESENCE OF ZINC POWDER, WATER AND ACID YIELDS A HALOALLYLCARBINOL WHICH CAN BE DEHALOGENATED WITH A BASE, NONEXPLOSIVE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-06-04 US disclosed
EP-0404077-B1 Process for producing propargylcarbinol compounds SUMITOMO CHEMICAL CO (JP) 1994-06-01 EP disclosed
US-5258529-A Dehydrohalogenation of corresponding alkene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-02 US disclosed
EP-0404077-A1 Process for producing propargylcarbinol compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-27 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 (4 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 346/4885AOC3 1501/4885
US-10975095-B2 CYP1B1, UGT1A1, CYP4B1 ADRB2 151/4885ADRB1 135/4885AOC3 3022/4885
US-11834461-B2 Bicyclic ketone compounds and methods of use thereof HSD17B7, CYP11B1, CYP11B2 ADRB2 392/4885ADRB1 346/4885AOC3 1501/4885
US-20240300974-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 ADRB2 392/4885ADRB1 346/4885AOC3 1501/4885

“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.