SCHEMBL1619699

SCHEMBL1619699

CC[CH]CCC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.52
PGR P06401 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
PTGS2 P35354 1/20 0.52
PDE4D Q08499 1/20 0.52
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 2/20 0.49
ALOX15 P16050 2/20 0.49
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.48
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
TRPA1 O75762 1/20 0.44
SOAT1 P35610 1/20 0.42
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40

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
SCHEMBL9791806 0.84 CYP1A2 (0.47) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL27629506 0.84 CYP1A2 (0.47) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9183887 0.81 NR1I2 (0.60) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9183882 0.81 NR1I2 (0.60) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL15537560 0.81 ALDH1A1 (0.57) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL11467654 0.80 ADORA3 (0.70) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL11467652 0.80 ADORA3 (0.70) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL16994601 0.80 ADORA3 (0.70) NR1I2PGRADORA3PTGS2PDE4D
Succinic Acid Diethyl Ester SCHEMBL28853161 0.80 GAA (0.63) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL11630175 0.79 GAA (0.46) NR1I2PGRADORA3PTGS2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022766-A1 SULFATED NONIONIC BLOCK COPOLYMER SURFACTANTS AS STABILIZER COATINGS FOR NANOPARTICLE COMPOSITIONS NANOSYSTEMS L.L.C. (US) 1996-08-01 WO claimed
US-7928222-B2 Porphyrin compound, process for producing porphyrin compound, three-dimensional optical recording material, and three-dimensional optical recording medium National University Corporation NARA Institute of Science and Technology (JP) 2011-04-19 US disclosed
US-20070224529-A1 Porphyrin compound, process for producing porphyrin compound, three-dimensional optical recording material, and three-dimensional optical recording medium National University Corporation NARA Institute of Science and Technology (JP) 2007-09-27 US disclosed
EP-1126884-A2 RADIODENSE COMPOSITIONS THE GENERAL HOSPITAL CORPORATION (US) 2001-08-29 EP disclosed
WO-2000025829-A2 RADIODENSE COMPOSITIONS THE GENERAL HOSPITAL CORPORATION (US) 2000-05-11 WO disclosed
WO-1998048847-A1 NANOPARTICLE COMPOSITION CONTAINING IODINATED X-RAY CONTRAST AGENT AS STABILIZER FOR THERMAL STERILIZATION NYCOMED IMAGING AS (NO) 1998-11-05 WO disclosed
WO-1996022766-A1 SULFATED NONIONIC BLOCK COPOLYMER SURFACTANTS AS STABILIZER COATINGS FOR NANOPARTICLE COMPOSITIONS NANOSYSTEMS L.L.C. (US) 1996-08-01 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 (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-20070224529-A1 Porphyrin compound, process for producing porphyrin compound, three-dimensional optical recording material, and three-dimensional optical recording medium PPOX, PNMT, PAH NR1I2 1686/4885PGR 1993/4885ADORA3 2621/4885

“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.