SCHEMBL5591

SCHEMBL5591

CCOP(=O)(CP(=O)(O)O)OCC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
PPARD Q03181 2/20 0.52
KDM4E B2RXH2 1/20 0.45
MMP2 P08253 1/20 0.45
THRB P10828 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OTC P00480 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33

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
SCHEMBL26605993 0.88 TSHR (0.48) TSHRPPARDKDM4EMMP2THRB
SCHEMBL282472 0.83 TSHR (0.67) TSHRPPARDTP53TDP1
SCHEMBL9654507 0.80 TSHR (0.63) TSHRPPARDTP53TDP1
SCHEMBL30529809 0.79 TSHR (0.79) TSHRPPARDKDM4EMMP2THRB
SCHEMBL1563641 0.79 PPARD (0.56) TSHRPPARDKDM4EMMP2THRB
SCHEMBL8351172 0.77 PPARD (0.62) TSHRPPARDTP53TDP1LPAR3
SCHEMBL4420368 0.77 TSHR (0.43) TSHRPPARDKDM4EMMP2THRB
SCHEMBL10040020 0.76 TSHR (0.57) TSHRPPARDTP53TDP1
Dimethylamine SCHEMBL27510386 0.76 TSHR (0.57) TSHRPPARDTP53TDP1CA12
SCHEMBL8862408 0.76 TSHR (0.57) TSHRPPARDTP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020091253-A1 Processes for synthesis of cyclic and linear polyamine chelators containing N-monosubstituted coordinating arms CONCAT, LTD. 2002-07-11 US claimed
CN-116730888-A Preparation method and application of canthaxanthin 万华化学集团股份有限公司 2023-09-12 CN disclosed
US-11046807-B2 Flame-resistant polymer polyol dispersion PCC ROKITA SA (PL) 2021-06-29 US disclosed
US-10093688-B2 Non-aqueous liquid electrolyte, electricity storage device using same, and phosphorus compound used therein UBE INDUSTRIES, LTD. (JP) 2018-10-09 US disclosed
US-20180223032-A1 FLAME-RESISTANT POLYMER POLYOL DISPERSION PCC ROKITA SA (PL) 2018-08-09 US disclosed
EP-3133100-B1 FLAME-RESISTANT POLYMER POLYOL DISPERSION PCC ROKITA SA (PL) 2018-04-18 EP disclosed
US-20170275311-A1 NON-AQUEOUS LIQUID ELECTROLYTE, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHORUS COMPOUND USED THEREIN UBE INDUSTRIES, LTD. (JP) 2017-09-28 US disclosed
EP-3133100-A1 FLAME-RESISTANT POLYMER POLYOL DISPERSION PCC Rokita SA (PL) 2017-02-22 EP disclosed
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
EP-1174431-B1 2-Phenyl-substituited Imidazotriazinones as Phoshodiesterase Inhibitors Bayer Pharma AG (DE) 2012-05-30 EP disclosed
EP-0639197-B1 EXCITATORY AMINO ACID ANTAGONISTS GUILFORD PHARM INC (US) 1996-09-04 EP disclosed
US-5428155-A PH controlled sulfomethylation of 1,4,7,10-tetraazacyclododecane; displacement with sodium cyanide; hydrolysis to symmetrical acetic acid side groups BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-06-27 US disclosed
EP-0639197-A1 EXCITATORY AMINO ACID ANTAGONISTS. GUILFORD PHARM INC (US) 1995-02-22 EP disclosed
EP-0618910-A1 SYNTHESIS OF POLYAZAMACROCYCLES WITH MORE THAN ONE TYPE OF SIDE-CHAIN CHELATING GROUPS THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-10-12 EP disclosed
US-5316757-A MRI contrast agent BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-05-31 US disclosed
EP-0639197-A4 EXCITATORY AMINO ACID ANTAGONISTS. GUILFORD PHARM INC (US) 1994-02-21 EP disclosed
US-5256814-A Anticonvulsant, analgesic, cognition activator SCIOS NOVA INC. (US) 1993-10-26 US disclosed
WO-1993012097-A1 SYNTHESIS OF POLYAZAMACROCYCLES WITH MORE THAN ONE TYPE OF SIDE-CHAIN CHELATING GROUPS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-06-24 WO disclosed
EP-0495355-A1 Copolymers of diallylaminoalkylene phosphonates and unsaturated carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-22 EP disclosed
WO-1992010099-A1 EXCITATORY AMINO ACID ANTAGONISTS NOVA PHARMACEUTICAL CORPORATION (US) 1992-06-25 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 (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-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A TSHR 3349/4885PPARD 1367/4885KDM4E 1131/4885
US-20020091253-A1 Processes for synthesis of cyclic and linear polyamine chelators containing N-monosubstituted coordinating arms SRM, SAMHD1, PARN TSHR 1380/4885PPARD 4624/4885KDM4E 2432/4885
US-20170275311-A1 NON-AQUEOUS LIQUID ELECTROLYTE, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHORUS COMPOUND USED THEREIN SCN10A, CACNA2D4, P2RY10 TSHR 4055/4885PPARD 3581/4885KDM4E 1583/4885
US-10093688-B2 Non-aqueous liquid electrolyte, electricity storage device using same, and phosphorus compound used therein SCN10A, CACNA2D4, P2RY10 TSHR 3923/4885PPARD 3262/4885KDM4E 1765/4885

“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.