SCHEMBL339126

SCHEMBL339126

CCCCOc1ccc(-c2ccc(OCCCC)cc2O)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
NPC1 O15118 1/20 0.65
ALDH1A1 P00352 1/20 0.65
GAA P10253 1/20 0.65
MAPT P10636 1/20 0.65
RAB9A P51151 1/20 0.65
KMT2A Q03164 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
LTA4H P09960 4/20 0.60
NR5A1 Q13285 1/20 0.60
CNR2 P34972 2/20 0.49
PTPN11 Q06124 2/20 0.49
PDK2 Q15119 2/20 0.49
GPR84 Q9NQS5 1/20 0.49
ADRB2 P07550 1/20 0.49
MCL1 Q07820 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL338731 0.92 LTA4H (0.60) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL1053968 0.88 ADRB2 (0.62) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL13021253 0.87 NPC1 (0.56) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL10821631 0.86 MAPT (0.55) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL22264596 0.84 NR5A1 (0.62) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL30504179 0.84 NR5A1 (0.62) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL11983843 0.84 LTA4H (0.56) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL4961756 0.84 LTA4H (0.56) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL77484 0.83 NR5A1 (0.60) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL7972017 0.83 NR5A1 (0.60) MEN1NPC1ALDH1A1GAAMAPT

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
EP-2271651-B1 ISOTHERMAL PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS DOW GLOBAL TECHNOLOGIES LLC (US) 2014-01-01 EP disclosed
EP-2346887-B1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES DOW TECHNOLOGY INVESTMENTS LLC (US) 2013-12-25 EP disclosed
US-8546600-B2 Slurry process for synthesis of bisphosphites and situ use thereof for producing bisphosphite DOW TECHNOLOGY INVESTMENTS LLC 2013-10-01 US disclosed
EP-2257560-B1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS UNION CARBIDE CHEM PLASTIC (US) 2013-07-17 EP disclosed
US-8471066-B2 Slurry process for phosphoromonochloridite synthesis UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC 2013-06-25 US disclosed
US-8097749-B2 Isothermal process for phosphoromonochloridite synthesis Union Carbide Chemical and Plastics Technology Technology 2012-01-17 US disclosed
US-20110196166-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES AND SITU USE THEREOF FOR PRODUCING BISPHOSPHITE DOW TECHNOLOGY INVESTMENTS LLC 2011-08-11 US disclosed
US-20110021840-A1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYTHESIS UNION CARBIDE CORPORATION 2011-01-27 US disclosed
US-20090247790-A1 ISOTHERMAL PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS UNION CARBIDE CORPORATION 2009-10-01 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 (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-20090247790-A1 ISOTHERMAL PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS PIM3, PLCB3, PLCD1 MEN1 1996/4885NPC1 4133/4885ALDH1A1 4149/4885
US-20110196166-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES AND SITU USE THEREOF FOR PRODUCING BISPHOSPHITE SOST, PLCB3, PPIP5K2 MEN1 1290/4885NPC1 3196/4885ALDH1A1 4653/4885
US-20110021840-A1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYTHESIS PSPH, SPIN3, SYNGR2 MEN1 561/4885NPC1 3610/4885ALDH1A1 4865/4885

“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.