SCHEMBL6187009

SCHEMBL6187009

CCOP(=O)(CCCC#N)OCC

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
PPARD Q03181 1/20 0.48
ACHE P22303 1/20 0.39
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7716774 0.94 TSHR (0.48) TSHRPPARDACHE
SCHEMBL11524014 0.92 TSHR (0.46) TSHRPPARDACHE
SCHEMBL13854206 0.90 TSHR (0.45) TSHRPPARDACHETP53TDP1
SCHEMBL491513 0.87 TSHR (0.54) TSHRPPARDACHETP53TDP1
SCHEMBL16625357 0.79 PPARD (0.46) TSHRPPARDACHETDP1
SCHEMBL5017294 0.79 PPARD (0.64) TSHRPPARDTP53TDP1
SCHEMBL7268189 0.79 PPARD (0.64) TSHRPPARDTP53TDP1
SCHEMBL40352 0.79 TSHR (0.50) TSHRPPARDTP53TDP1
SCHEMBL19245610 0.78 PPARD (0.45) TSHRPPARDACHE
SCHEMBL19398541 0.78 TSHR (0.48) TSHRPPARDACHETP53TDP1

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
US-20090123507-A1 Metal Oxide Nanoparticles Coated With Specific N-Acylaminomethylene Phosphonates CIBA SPECIALTY CHEMICALS CORP. 2009-05-14 US disclosed
EP-1565461-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL(ENE)PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Patel, Mahesh V. (IN) 2005-08-24 EP disclosed
WO-2004007489-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL (ENE) PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS OR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WOCKHARDT LIMITED (IN) 2004-01-22 WO disclosed
EP-1254137-A1 PYRIDO 2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-11-06 EP disclosed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
WO-2001055147-A1 PYRIDO[2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4299943-A PRODUCED BY REACTING SILYL DIESTER OF A PENTAVALENT ORGANIC METAL ACID WITH A TETRAVALENT METAL OCCIDENTAL RESEARCH CORPORATION (US) 1981-11-10 US disclosed
US-4151229-A Process for the manufacture of aminoalkyl-phosponic acid esters CIBA-GEIGY CORPORATION (US) 1979-04-24 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 (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-20090123507-A1 Metal Oxide Nanoparticles Coated With Specific N-Acylaminomethylene Phosphonates PHOSPHO1, ACP1, PNN TSHR 3940/4885PPARD 3000/4885ACHE 2648/4885

“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.