SCHEMBL4820053

SCHEMBL4820053

C/C=C/P(=O)(OCC)OCC

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARD Q03181 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
ACHE P22303 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
SCHEMBL264912 1.00 TSHR (0.46) TSHRTP53TDP1PPARDNPSR1
SCHEMBL5015252 0.86 TSHR (0.53) TSHRTP53TDP1PPARDNPSR1
SCHEMBL12306815 0.83 TSHR (0.40) TSHRTP53TDP1PPARDNPSR1
SCHEMBL4813841 0.80 MEN1 (0.36) TSHR
SCHEMBL4813823 0.80 MEN1 (0.36) TSHR
SCHEMBL5312037 0.79 TSHR (0.46) TSHRTP53TDP1PPARDACHE
SCHEMBL5312040 0.79 TSHR (0.46) TSHRTP53TDP1PPARDACHE
SCHEMBL6631037 0.78 TSHR (0.50) TSHRTP53TDP1PPARDNPSR1
SCHEMBL7526044 0.77 TSHR (0.56) TSHRTP53TDP1PPARDNPSR1
SCHEMBL11341588 0.77 TSHR (0.43) TSHRTP53TDP1PPARDNPSR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558461-B1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL MYERS SQUIBB CO (US) 2015-12-02 EP disclosed
US-8993158-B2 Nonaqueous electrolyte solution containing silyl ester group-containing phosphonic acid derivative, and lithium secondary battery MITSUI CHEMICALS, INC. (JP) 2015-03-31 US disclosed
US-8993158-B2 Nonaqueous electrolyte solution containing silyl ester group-containing phosphonic acid derivative, and lithium secondary battery MITSUI CHEMICALS, INC. (JP) 2015-03-31 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20130071732-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING SILYL ESTER GROUP-CONTAINING PHOSPHONIC ACID DERIVATIVE, AND LITHIUM SECONDARY BATTERY MITSUI CHEMICALS, INC. (JP) 2013-03-21 US disclosed
US-20130071732-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING SILYL ESTER GROUP-CONTAINING PHOSPHONIC ACID DERIVATIVE, AND LITHIUM SECONDARY BATTERY MITSUI CHEMICALS, INC. (JP) 2013-03-21 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
WO-2008120854-A1 FLAMEPROOF COPOLYMER AND FLAME RETARDANT THERMOPLASTIC RESIN COMPOSITION USING THEREOF CHEIL INDUSTRIES INC. (KR) 2008-10-09 WO disclosed
US-20080242795-A1 Flameproof Copolymer and Flame Retardant Thermoplastic Resin Composition Including the Same CHEIL INDUSTRIES INC. (KR) 2008-10-02 US disclosed
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
US-4206156-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-06-03 US disclosed
US-4182758-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-08 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-20130071732-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING SILYL ESTER GROUP-CONTAINING PHOSPHONIC ACID DERIVATIVE, AND LITHIUM SECONDARY BATTERY PHOSPHO1, PSPH, SGK2 TSHR 4500/4885TP53 1848/4885TDP1 3359/4885
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 TSHR 1541/4885TP53 2980/4885TDP1 3740/4885

“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.