SCHEMBL340386

SCHEMBL340386

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.61
CYP3A4 P08684 4/20 0.54
HIF1A Q16665 2/20 0.54
CYP2D6 P10635 1/20 0.54
CNR1 P21554 12/20 0.50
CNR2 P34972 12/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ESR1 P03372 1/20 0.49
TP53 P04637 1/20 0.49
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
AR P10275 1/20 0.49
MAPT P10636 1/20 0.49
DRD1 P21728 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL68434 0.88 SHBG (0.61) SHBGCYP3A4HIF1ACYP2D6CNR1
SCHEMBL29457570 0.88 SHBG (0.61) SHBGCYP3A4HIF1ACYP2D6CNR1
SCHEMBL7699366 0.86 SHBG (0.59) SHBGCYP3A4HIF1ACYP2D6CNR1
SCHEMBL4629051 0.84 SHBG (0.57) SHBGCYP3A4HIF1ACYP2D6CNR1
SCHEMBL13096081 0.84 SHBG (0.57) SHBGCYP3A4HIF1ACYP2D6CNR1
SCHEMBL9355691 0.82 ESR1 (0.61) SHBGCYP3A4HIF1ACYP2D6SMN1; SMN2
SCHEMBL11051923 0.81 SHBG (0.53) SHBGCYP3A4HIF1ACYP2D6CNR1
SCHEMBL11300649 0.81 SHBG (0.53) SHBGCYP3A4HIF1ACYP2D6CNR1
SCHEMBL340143 0.81 NPC1 (0.55) CNR1CNR2SMN1; SMN2ESR1AR
SCHEMBL768277 0.80 SHBG (0.57) SHBGCYP3A4HIF1ACYP2D6CNR1

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 15 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
EP-2257560-A1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS Union Carbide Chemicals & Plastics Technology Llc (Formerly Union Carbide Chemicals & Plastics Technology Corporation) (US) 2010-12-08 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-2009120529-A1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYNTHESIS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (FORMERLY UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION) (US) 2009-10-01 WO 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 SHBG 4780/4885CYP3A4 918/4885HIF1A 3199/4885
US-20110196166-A1 SLURRY PROCESS FOR SYNTHESIS OF BISPHOSPHITES AND SITU USE THEREOF FOR PRODUCING BISPHOSPHITE SOST, PLCB3, PPIP5K2 SHBG 3588/4885CYP3A4 2515/4885HIF1A 2315/4885
US-20110021840-A1 SLURRY PROCESS FOR PHOSPHOROMONOCHLORIDITE SYTHESIS PSPH, SPIN3, SYNGR2 SHBG 2445/4885CYP3A4 2758/4885HIF1A 4589/4885

“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.