SCHEMBL6359157

SCHEMBL6359157

CCCCOP(=O)(CP(=O)(OCCCC)OCCCC)OCCCC

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
LPAR3 Q9UBY5 4/20 0.48
LPAR1 Q92633 2/20 0.48
LPAR2 Q9HBW0 2/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9654214 0.97 CYP3A4 (0.61) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL10395286 0.95 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL9654517 0.93 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL10394508 0.93 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL10395237 0.92 LPAR3 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL10395209 0.91 CYP3A4 (0.54) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL10395698 0.91 CYP3A4 (0.54) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL6352746 0.90 LPAR3 (0.61) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL10395224 0.90 LPAR3 (0.61) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL10394494 0.88 LPAR3 (0.54) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024053596-A1 METHOD FOR RECOVERING SCANDIUM 日本製鉄株式会社 2024-03-14 WO disclosed
US-20240018173-A1 PROCESS FOR PREPARING PHOSPHONATE ESTERS ENTEGRIS, INC. 2024-01-18 US disclosed
WO-2024015263-A1 PROCESS FOR PREPARING PHOSPHONATE ESTERS ENTEGRIS, INC. (US) 2024-01-18 WO disclosed
US-20150291636-A1 ANTIBACTERIAL COMPOUNDS AND BIOLOGICAL APPLICATIONS THEREOF LABORATOIRE BIODIM (FR) 2015-10-15 US disclosed
US-7638637-B2 Immunomodulators; amino-functional imidazole phosphonates and analogues thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-12-29 US disclosed
US-20070088002-A1 Orally available sphingosine 1-phosphate receptor agonists and antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 US disclosed
US-20050234257-A1 Facile synthesis of symmetric esters of alkylenebisphosphonic acids LOYOLA UNIVERSITY OF CHICAGO 2005-10-20 US disclosed
US-6909010-B2 Facile synthesis of symmetric esters of alkylenebisphosphonic acids LOYOLA UNIVERSITY OF CHICAGO (US) 2005-06-21 US disclosed
CN-1561219-A Pharmaceutical compounds ILEX ONCOLOGY INC (CH) 2005-01-05 CN disclosed
EP-1326618-A2 USE OF ARYL-SUBSTITUTED 1,1-DIPHOSPHONATES FOR THE TREATMENT OF BONE DISEASES Ilex Oncology Research S.A. (CH) 2003-07-16 EP disclosed
EP-0479813-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES. HUHTAMAEKI YHTHYMAE OY (FI) 1992-04-15 EP disclosed
US-5043330-A Antiinflammatory and hypotensive agents; antihyperlipemia SYMPHAR S.A. (CH) 1991-08-27 US disclosed
EP-0418064-A2 Naphthalene and tetrahydronaphthalene gem-diphosphonate derivatives SYMPHAR S.A. (CH) 1991-03-20 EP disclosed
WO-1990015806-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES Huhtamäki Oy (FI) 1990-12-27 WO disclosed
US-4939284-A Process for the manufacture of tetraalkyl ethenylidenebisphosphonate esters THE PROCTER & GAMBLE COMPANY (US) 1990-07-03 US disclosed
EP-0339237-A2 Phenol substituted gem-diphosphonate derivatives, process for their preparation and pharmaceutical compositions containing them SYMPHAR S.A. (CH) 1989-11-02 EP disclosed
US-4820698-A TETRAALKYL ETHENYLIDENEBISPHOSPHONATES THE PROCTER & GAMBLE COMPANY (US) 1989-04-11 US disclosed
US-4419440-A Process for the introduction of hydrophobic photographic additives VEB FILMFABRIK WOLFEN (DD) 1983-12-06 US disclosed
US-4141967-A ANHYDROUS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-02-27 US disclosed
US-4009116-A Process of preparing substantially organic waste liquids containing radioactive or toxic substances for safe, non-pollutive handling, transportation and permanent storage BAYER AKTIENGESELLSCHAFT (DT) 1977-02-22 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 (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-20070088002-A1 Orally available sphingosine 1-phosphate receptor agonists and antagonists S1PR3, S1PR1, S1PR5 CYP3A4 1863/4885LPAR3 8/4885LPAR1 10/4885
US-20240018173-A1 PROCESS FOR PREPARING PHOSPHONATE ESTERS MED1, MED16, MED12 CYP3A4 3360/4885LPAR3 1350/4885LPAR1 1240/4885
US-20050234257-A1 Facile synthesis of symmetric esters of alkylenebisphosphonic acids PHOSPHO1, PAPSS1, PHPT1 CYP3A4 323/4885LPAR3 977/4885LPAR1 554/4885
US-20150291636-A1 ANTIBACTERIAL COMPOUNDS AND BIOLOGICAL APPLICATIONS THEREOF C3AR1, CFH, MSR1 CYP3A4 3271/4885LPAR3 599/4885LPAR1 914/4885

“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.