Sugi Predict

Sugi Predict / Compounds / SCHEMBL1923635

SCHEMBL1923635

SCHEMBL1923635

CCCC(C)(C)OP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 3/20 0.48
▸ FDPS P14324 12/20 0.44
▸ S1PR2 O95136 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ GGPS1 O95749 5/20 0.35
▸ LPAR3 Q9UBY5 3/20 0.35
▸ LPAR1 Q92633 2/20 0.35
▸ LPAR2 Q9HBW0 2/20 0.35

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
SCHEMBL215087 0.86 SMPD1 (0.55) SMPD1FDPSS1PR2S1PR4S1PR1
SCHEMBL17333449 0.86 FDPS (0.44) SMPD1FDPSGGPS1
SCHEMBL2150670 0.85 SMPD1 (0.63) SMPD1FDPSGGPS1LPAR3LPAR1
SCHEMBL9659846 0.83 SMPD1 (0.67) SMPD1FDPSGGPS1LPAR3LPAR1
SCHEMBL28466128 0.83 SMPD1 (0.67) SMPD1FDPSGGPS1LPAR3LPAR1
SCHEMBL13896287 0.83 SMPD1 (0.67) SMPD1FDPSGGPS1LPAR3LPAR1
SCHEMBL9660425 0.83 SMPD1 (0.67) SMPD1FDPSGGPS1LPAR3LPAR1
SCHEMBL14671500 0.83 SMPD1 (0.67) SMPD1FDPSGGPS1LPAR3LPAR1
SCHEMBL4185799 0.81 SMPD1 (0.39) SMPD1FDPSS1PR2S1PR4S1PR1
SCHEMBL13095381 0.81 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110833835-B Preparation method of carbon-coated metal particle anchored nano catalytic material 广西大学 2023-06-09 — — CN claimed
CN-111433177-B Is used for preparing 1, 3-trichloro-4, 4-trifluoro-but-1-ene E) -1, 4-hexafluorobut-2-ene processes and intermediates 科慕埃弗西有限公司 2024-04-16 — — CN disclosed
US-11390574-B2 Process for producing 1,1,3-trichloro-4,4,4-trifluorobut-1-ene THE CHEMOURS COMPANY FC, LLC (US) 2022-07-19 — — US disclosed
US-20210188743-A1 Process and Intermediates for Preparing (E)-1,1,1,4,4,4-hexafluorobut-2-ene THE CHEMOURS COMPANY FC, LLC (US) 2021-06-24 — — US disclosed
EP-3720834-A1 PROCESS AND INTERMEDIATES FOR PREPARING 1,1,3-TRICHLORO-4,4,4-TRIFLUOROBUT-1-ENE AND (E)-1,1,1,4,4,4-HEXAFLUOROBUT-2-ENE The Chemours Company FC, LLC (US) 2020-10-14 — — EP disclosed
WO-2019113052-A1 PROCESS AND INTERMEDIATES FOR PREPARING 1,1,3-TRICHLORO-4,4,4-TRIFLUOROBUT-1-ENE AND (E)-1,1,1,4,4,4-HEXAFLUOROBUT-2-ENE THE CHEMOURS COMPANY FC, LLC (US) 2019-06-13 — — WO disclosed
EP-2330675-B1 SECONDARY BATTERY NEC CORP (JP) 2018-08-22 — — EP disclosed
EP-2046964-B1 TRANSDUCIBLE DELIVERY OF NUCLEIC ACIDS BY REVERSIBLE PHOSPHOTRIESTER CHARGE NEUTRALIZATION PROTECTING GROUPS UNIV CALIFORNIA (US) 2018-07-04 — — EP disclosed
CN-103403950-A Lithium ion battery NEC ENERGY DEVICES LTD 2013-11-20 — — CN disclosed
US-20130071478-A1 RETINOID-LIPOSOMES FOR ENHANCING MODULATION OF HSP47 EXPRESSION NITTO DENKO CORPORATION (JP) 2013-03-21 — — US disclosed
US-20120171542-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2012-07-05 — — US disclosed
US-20110159379-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2011-06-30 — — US disclosed
EP-2330675-A1 SECONDARY BATTERY NEC Corporation (JP) 2011-06-08 — — EP disclosed
EP-2322212-A1 Compositon of antigen and glycolipid adjuvant for sublingual administration Allergy Therapeutics (UK) Limited (GB) 2011-05-18 — — EP disclosed
EP-2046964-A2 TRANSDUCIBLE DELIVERY OF NUCLEIC ACIDS BY REVERSIBLE PHOSPHOTRIESTER CHARGE NEUTRALIZATION PROTECTING GROUPS The Regents of the University of California (US) 2009-04-15 — — EP disclosed
US-20090093425-A1 TRANSDUCIBLE DELIVERY OF NUCLEIC ACIDS BY REVERSIBLE PHOSPHOTRIESTER CHARGE NEUTRALIZATION PROTECTING GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-09 — — US disclosed
WO-2008008476-A2 TRANSDUCIBLE DELIVERY OF NUCLEIC ACIDS BY REVERSIBLE PHOSPHOTRIESTER CHARGE NEUTRALIZATION PROTECTING GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-17 — — WO disclosed
US-20060172201-A1 Non-aqueous electrolyte and lithium secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-03 — — US disclosed
EP-1357628-A1 NONAQUEOUS ELECTROLYTIC LIQUIDS AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-10-29 — — 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 (4 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-20210188743-A1 Process and Intermediates for Preparing (E)-1,1,1,4,4,4-hexafluorobut-2-ene FRG1, PFN1, TOE1 SMPD1 3646/4885FDPS 1071/4885S1PR2 630/4885
US-11390574-B2 Process for producing 1,1,3-trichloro-4,4,4-trifluorobut-1-ene PFN1, TOE1, FRG1 SMPD1 3218/4885FDPS 764/4885S1PR2 1084/4885
US-20130071478-A1 RETINOID-LIPOSOMES FOR ENHANCING MODULATION OF HSP47 EXPRESSION SERPINH1, USP47, HSPH1 SMPD1 329/4885FDPS 1777/4885S1PR2 2022/4885
US-20090093425-A1 TRANSDUCIBLE DELIVERY OF NUCLEIC ACIDS BY REVERSIBLE PHOSPHOTRIESTER CHARGE NEUTRALIZATION PROTECTING GROUPS NSUN3, POLRMT, NSUN2 SMPD1 695/4885FDPS 3401/4885S1PR2 2719/4885

“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.