SCHEMBL96701

SCHEMBL96701

[CH2]C(C)CC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
MLYCD O95822 7/20 0.34
DGAT1 O75907 1/20 0.33
CTSK P43235 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G5 P39877 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2690899 0.83 CYP2D6 (0.55) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5468494 0.81 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL607503 0.81 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1260631 0.81 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10947878 0.80 CYP2D6 (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL318355 0.79 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5081830 0.79 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14016296 0.79 CYP2D6 (0.51) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL530346 0.79 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL21811455 0.79 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216389-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-11957691-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-04-16 US disclosed
CN-117693509-A Macrocyclic compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11147821-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-10-19 US disclosed
US-11013746-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-25 US disclosed
US-20190117666-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-04-25 US disclosed
CN-107625953-A For preventing and/or treating the medicine of polycystic kidney disease 大塚制药株式会社 2018-01-26 CN disclosed
CN-104334176-B Medicine for preventing and/or treating polycystic kidney disease 大塚制药株式会社 2018-01-02 CN disclosed
EP-2854815-B1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMA CO LTD (JP) 2017-11-22 EP disclosed
US-20170239265-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-24 US disclosed
CN-1069728-A Maillard reaction inhibitor OTSUKA PHARMA CO LTD (JP) 1993-03-10 CN disclosed
CN-1066653-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1992-12-02 CN disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
CN-1051038-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1991-05-01 CN disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US 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-11147821-B2 Drug for preventing and/or treating polycystic kidney disease PKD1, PKD2, SSTR5 CYP2D6 1716/4885HDAC3 619/4885HDAC1 1600/4885
US-11013746-B2 Drug for preventing and/or treating polycystic kidney disease PKD1, PKD2, SSTR5 CYP2D6 1716/4885HDAC3 619/4885HDAC1 1600/4885
US-20190117666-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, SSTR5 CYP2D6 1716/4885HDAC3 619/4885HDAC1 1600/4885
US-11957691-B2 Drug for preventing and/or treating polycystic kidney disease PKD1, PKD2, SSTR5 CYP2D6 1716/4885HDAC3 619/4885HDAC1 1600/4885
US-20240216389-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, SSTR5 CYP2D6 1716/4885HDAC3 619/4885HDAC1 1600/4885
US-20170239265-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, SSTR5 CYP2D6 1716/4885HDAC3 619/4885HDAC1 1600/4885

“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.