SCHEMBL4859157

SCHEMBL4859157

CCCCOP(=O)(CCCN)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
GABBR2 O75899 3/20 0.50
GABBR1 Q9UBS5 3/20 0.50
GABRR1 P24046 1/20 0.50
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.40
THPO P40225 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL28725284 0.94 CYP3A4 (0.50) CYP3A4GABBR2GABBR1GABRR1LPAR3
SCHEMBL28659304 0.89 GABBR2 (0.47) CYP3A4GABBR2GABBR1GABRR1TSHR
SCHEMBL11514808 0.87 CYP3A4 (0.61) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL575182 0.87 CYP3A4 (0.61) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11421377 0.87 CYP3A4 (0.61) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL13725888 0.86 LPAR3 (0.46) CYP3A4GABBR2GABBR1GABRR1LPAR3
SCHEMBL11515024 0.85 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11564266 0.85 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11040982 0.85 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL10832782 0.84 CYP3A4 (0.64) CYP3A4LPAR3LPAR1LPAR2TSHR

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
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7317046-B2 Cyclic phosphazenes, process for preparing them, flame retardant containing them as active ingredient, and resin composition containing them and molded article therefrom CHEMIPRO KASEI KAISHA, LIMITED (JP) 2008-01-08 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20050159509-A1 Varnish, shaped item, electrical insulating film, laminate, flame retardant slurry and process for producing flame retardant particles and varnish ZEON CORPORATION (JP) 2005-07-21 US disclosed
US-20040152910-A1 Cyclic phosphazenes, process for preparing them, flame retardants containing the same as the active ingredient, and resin composition containing and molded articles containing the flame retardants CHEMIPRO KASEI KAISHA, LIMITED (JP) 2004-08-05 US disclosed
EP-1403273-A1 CYCLIC PHOSPHAZENES, PROCESS FOR PREPARING THEM, FLAME RETARDANTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT, AND RESIN COMPOSITIONS AND MOLDED ARTICLES CONTAINING THE FLAME RETARDANTS Chemipro Kasei Kaisha, Limited (JP) 2004-03-31 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 (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-20040152910-A1 Cyclic phosphazenes, process for preparing them, flame retardants containing the same as the active ingredient, and resin composition containing and molded articles containing the flame retardants PFAS, AFF1, PHOSPHO1 CYP3A4 2438/4885GABBR2 2840/4885GABBR1 3002/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 CYP3A4 2660/4885GABBR2 4654/4885GABBR1 4608/4885

“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.