SCHEMBL2235112

SCHEMBL2235112

CCOC(=O)CCCP(=O)(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
PPARD Q03181 1/20 0.50
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPA1 O75762 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGKA P23743 1/20 0.38

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
SCHEMBL4931741 0.94 CYP1A2 (0.50) CYP1A2PPARDNR1I2PGRADORA3
SCHEMBL4232740 0.93 CYP1A2 (0.48) CYP1A2PPARDTSHRGAAALDH1A1
SCHEMBL8551385 0.93 CYP1A2 (0.48) CYP1A2PPARDTSHRGAAALDH1A1
SCHEMBL1406274 0.93 CYP1A2 (0.48) CYP1A2PPARDTSHRGAAALDH1A1
SCHEMBL18590888 0.93 CYP1A2 (0.48) CYP1A2PPARDTSHRGAAALDH1A1
SCHEMBL710885 0.88 PPARD (0.54) CYP1A2PPARDNR1I2PGRADORA3
SCHEMBL15951772 0.87 DGKA (0.47) CYP1A2PPARDTSHRDGKALPAR6
SCHEMBL2356490 0.87 CYP1A2 (0.47) CYP1A2PPARDNR1I2PGRADORA3
SCHEMBL2350461 0.86 DGKA (0.46) CYP1A2CYP3A4DGKALPAR6LPAR1
SCHEMBL15951716 0.86 DGKA (0.50) PPARDALDH1A1DGKALPAR6LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122080573-A Flame-retardant phenolic aldehyde/glass fiber composite board, preparation method and application 2026-05-26 CN claimed
CN-122080573-A Flame-retardant phenolic aldehyde/glass fiber composite board, preparation method and application 2026-05-26 CN disclosed
CN-120895758-A Electrolyte with phosphonate as organic additive and water-based zinc ion battery 中国科学院福建物质结构研究所 2025-11-04 CN disclosed
US-12159967-B2 Nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-12-03 US disclosed
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2024-06-25 US disclosed
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 CN disclosed
US-20240128511-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2024-04-18 US disclosed
US-11942601-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2024-03-26 US disclosed
EP-4318719-A2 NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2024-02-07 EP disclosed
EP-4030524-B1 NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2024-02-07 EP disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
WO-2003074008-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-09-12 WO disclosed
WO-2003073986-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-09-12 WO disclosed
EP-1315735-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS Merck & Co., Inc. (US) 2003-06-04 EP disclosed
US-6437165-B1 USEFUL FOR TREATING IMMUNE MEDIATED DISEASES AND CONDITIONS, SUCH AS BONE MARROW, ORGAN AND TISSUE TRANSPLANT REJECTION. MERCK & CO., INC. 2002-08-20 US disclosed
US-20020091105-A1 Phosphate derivatives as immunoregulatory agents MERCK & CO., INC. 2002-07-11 US disclosed
WO-2002018395-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO., INC. (US) 2002-03-07 WO disclosed
WO-1996019484-A1 NOVEL CARBOXAMIDE-DERIVED PHOSPHONATES, METHOD FOR MAKING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID PHOSPHONATES PIERRE FABRE MEDICAMENT (FR) 1996-06-27 WO disclosed
US-4278791-A CORROSION RESISTANCE, WETTING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
US-4086208-A Flame resistant polyesters TOYO BOSEKI KABUSHIKI KAISHA (JA) 1978-04-25 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 (2 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-20020091105-A1 Phosphate derivatives as immunoregulatory agents ALPP, PPIP5K2, ALPI CYP1A2 1658/4885PPARD 1617/4885NR1I2 1538/4885
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP3 CYP1A2 2694/4885PPARD 18/4885NR1I2 248/4885

“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.