SCHEMBL339877

SCHEMBL339877

CCC(C)c1ccc(-c2ccc(C(C)CC)cc2O)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.63
ALDH1A1 P00352 4/20 0.63
USP2 O75604 1/20 0.63
PKM P14618 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 1/20 0.63
HDAC4 P56524 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
TSHR P16473 2/20 0.47
RORC P51449 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
ADRB2 P07550 2/20 0.42
PTGS2 P35354 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TRPA1 O75762 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL683547 0.87 HSD17B10 (0.69) GAAALDH1A1USP2PKMHPGD
SCHEMBL28161630 0.85 GAA (0.67) GAAALDH1A1USP2PKMHPGD
SCHEMBL93071 0.83 GAA (0.59) GAAALDH1A1USP2PKMHPGD
Butane SCHEMBL27803637 0.83 HSD17B10 (0.65) GAAALDH1A1USP2PKMHPGD
SCHEMBL14154101 0.83 GAA (0.59) GAAALDH1A1USP2PKMHPGD
SCHEMBL29663703 0.83 GAA (0.59) GAAALDH1A1USP2PKMHPGD
SCHEMBL4401036 0.83 TRPA1 (0.64) GAAALDH1A1USP2PKMHPGD
SCHEMBL3399797 0.83 GAA (0.59) GAAALDH1A1USP2PKMHPGD
SCHEMBL12133478 0.82 ALDH1A1 (0.58) GAAALDH1A1USP2PKMHPGD
SCHEMBL16736608 0.82 GAA (0.58) GAAALDH1A1USP2PKMHPGD

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 13 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
EP-2346887-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES Dow Technology Investments LLC (US) 2011-07-27 EP disclosed
US-20110021840-A1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYTHESIS UNION CARBIDE CORPORATION 2011-01-27 US disclosed
EP-2271651-A1 ISOTHERMAL PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS Dow Global Technologies Inc. (US) 2011-01-12 EP disclosed
WO-2010042313-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES DOW TECHNOLOGY INVESTMENTS LLC (US) 2010-04-15 WO disclosed
US-20090247790-A1 ISOTHERMAL PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS UNION CARBIDE CORPORATION 2009-10-01 US disclosed
WO-2009120210-A1 ISOTHERMAL PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-10-01 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 (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 GAA 3173/4885ALDH1A1 4149/4885USP2 3345/4885
US-20110196166-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES AND SITU USE THEREOF FOR PRODUCING BISPHOSPHITE SOST, PLCB3, PPIP5K2 GAA 4660/4885ALDH1A1 4653/4885USP2 3836/4885
US-20110021840-A1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYTHESIS PSPH, SPIN3, SYNGR2 GAA 4310/4885ALDH1A1 4865/4885USP2 1842/4885

“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.