SCHEMBL114969

SCHEMBL114969

CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
HMGCR P04035 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
SCHEMBL8626497 0.97 CTSA (0.46) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL10395316 0.89 CTSA (0.40) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL10395275 0.89 CTSA (0.40) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL10394484 0.85 TSHR (0.48) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL19380267 0.85 TSHR (0.48) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL19882769 0.85 CTSA (0.37) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL8172845 0.84 CTSA (0.40) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL718098 0.84 KDM4E (0.43) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL525985 0.81 CTSA (0.48) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL1003565 0.79 TSHR (0.46) CTSAACHEALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115000310-A Perovskite coating, preparation method thereof and X-ray detector 中国科学院深圳先进技术研究院 2022-09-02 CN claimed
CN-113161610-B Non-aqueous electrolyte for lithium ion battery and lithium ion battery comprising same 松山湖材料实验室 2022-07-22 CN claimed
CN-114552006-A Electrolyte additive composition and application 香河昆仑新能源材料股份有限公司 2022-05-27 CN claimed
CN-113224386-A Cobalt acid lithium battery electrolyte additive, electrolyte and battery thereof 松山湖材料实验室 2021-08-06 CN claimed
CN-113161610-A Non-aqueous electrolyte for lithium ion battery and lithium ion battery comprising same 松山湖材料实验室 2021-07-23 CN claimed
CN-110459802-B In-situ thermal initiation preparation of polymer electrolyte and all-solid-state sodium ion battery 北京理工大学 2020-11-10 CN claimed
EP-3209671-B1 ALKYLIDENE PHOSPHONATE ESTERS AS P-GLYCOPROTEIN INDUCERS COUNCIL SCIENT IND RES (IN) 2019-03-27 EP claimed
US-10066152-B2 Crosslinkable proppant particulates for use in subterranean formation operations HALLIBURTON ENERGY SERVICES, INC. (US) 2018-09-04 US claimed
US-20170275314-A1 ALKYLIDENE PHOSPHONATE ESTERS AS P-GLYCOPROTEIN INDUCERS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-28 US claimed
EP-3209671-A1 ALKYLIDENE PHOSPHONATE ESTERS AS P-GLYCOPROTEIN INDUCERS Council of Scientific and Industrial Research (IN) 2017-08-30 EP claimed
EP-0888365-A1 A PROCESS FOR THE PREPARATION OF DIPHOSPHONATE DERIVATIVES SYMPHAR S.A. (CH) 1999-01-07 EP claimed
EP-0600519-B1 Synthesis of tetraalkyl vinylidene diphosphonate monomer UNIV TENNESSEE RES CORP (US) 1998-09-16 EP claimed
US-5789528-A Process for the preparation of polyesters and copolyesters AKZO NOBEL NV (NL) 1998-08-04 US claimed
US-5712347-A Grafted methylenediphosphonate ion exchange resins ARCH DEVELOPMENT CORP. (US) 1998-01-27 US claimed
US-5684116-A Titanium dioxide/silicon dioxide coprecipitates and titanium dioxide/zirconium dioxide coprecipitates as polycondensation catalysts for polyesters and copolyesters AKZO NOBEL, N.V. (NL) 1997-11-04 US claimed
WO-1997031004-A1 A PROCESS FOR THE PREPARATION OF DIPHOSPHONATE DERIVATIVES SYMPHAR S.A. (CH) 1997-08-28 WO claimed
EP-0371264-B1 Phosphonate reagent compositions and methods of making same UNIV LOYOLA CHICAGO (US) 1994-09-14 EP claimed
EP-0100718-B1 ANTI-INFLAMMATORY PRODUCTS DERIVED FROM METHYLENEDIPHOSPHONIC ACID, AND PROCESS FOR THEIR PREPARATION SANOFI S.A. (FR) 1987-10-14 EP claimed
EP-0221611-A2 Antimicrobial agents and process for their manufacture THE PROCTER & GAMBLE COMPANY (US) 1987-05-13 EP claimed
US-4141967-A ANHYDROUS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-02-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170275314-A1 ALKYLIDENE PHOSPHONATE ESTERS AS P-GLYCOPROTEIN INDUCERS ABCB1, ABCC2, ABCC4 CTSA 1155/4885ACHE 196/4885ALDH1A1 709/4885

“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.