SCHEMBL3871787

SCHEMBL3871787

OCCCCC1OCCCO1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.33
PRKCG P05129 2/20 0.33
PRKCB P05771 2/20 0.33
PRKCA P17252 2/20 0.33
PRKCH P24723 2/20 0.33
PRKCI P41743 2/20 0.33
PRKCE Q02156 2/20 0.33
PRKCQ Q04759 2/20 0.33
PRKCZ Q05513 2/20 0.33
PRKCD Q05655 2/20 0.33
PRKD1 Q15139 2/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8926810 0.98 PRKD3 (0.36) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8895312 0.92 PRKD3 (0.31) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL10005702 0.91 PRKD3 (0.35) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL11683598 0.90 PRKD3 (0.35) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL31541808 0.87 PRKD3 (0.38) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL29992122 0.82 ENPP2 (0.34) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2430959 0.81
SCHEMBL10300847 0.81
SCHEMBL4393734 0.78
SCHEMBL9734070 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-7595313-B2 Nitric oxide donating diuretic compounds, compositions and methods of use NICOX, S.A. (FR) 2009-09-29 US disclosed
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2008-10-16 US disclosed
US-7396829-B2 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2008-07-08 US disclosed
EP-1855688-A2 NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2007-11-21 EP disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
WO-2006091716-A2 NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-08-31 WO disclosed
US-20060189603-A1 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2006-08-24 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP 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 (3 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 PRKD3 3944/4885PRKCG 3519/4885PRKCB 3791/4885
US-20060189603-A1 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NOS1, NOS3, REN PRKD3 1267/4885PRKCG 1555/4885PRKCB 1376/4885
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS1, NOS3, NOS2 PRKD3 812/4885PRKCG 667/4885PRKCB 808/4885

“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.