SCHEMBL1230593

SCHEMBL1230593

CCCCC(CC)CC(CC(CC)CCCC)(O[PH](=O)O)C(CC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 5/20 0.36
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
CA2 P00918 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.34
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
FDPS P14324 1/20 0.32
CA1 P00915 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1230591 0.88 CYP3A4 (0.38) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL28350466 0.83 FDPS (0.34) ALDH1A1CA2FDPSCA1
SCHEMBL5553583 0.82
SCHEMBL1086791 0.76 CYP3A4 (0.42) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL28350056 0.76 FDPS (0.36) ALDH1A1TSHRCA2FDPSCA1
SCHEMBL9770804 0.75 CYP3A4 (0.38) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL9770807 0.75 CYP3A4 (0.38) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL4602796 0.75 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL11417239 0.71 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRCA2L3MBTL1
Phosphonic Acid SCHEMBL11044392 0.70 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1ATM

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
US-20050202979-A1 Power transmission fluids with enhanced extreme pressure characteristics ETHYL PETROLEUM ADDITIVES, INC. 2005-09-15 US claimed
US-4803000-A POLYOXYALKYLENE ETHER PHOSPHATES, PHOSPHONATE ESTERS HITACHI, LTD. (JP) 1989-02-07 US claimed
US-9138003-B2 Phosphonates and derivatives thereof as enhancers of the activity of insecticides SYNGENTA CROP PROTECTION INC. (US) 2015-09-22 US disclosed
US-8518307-B2 Method for producing ytterbium phosphate fine particles CANON KABUSHIKI KAISHA (JP) 2013-08-27 US disclosed
US-20110024926-A1 METHOD FOR PRODUCING YTTERBIUM PHOSPHATE FINE PARTICLES CANON KABUSHIKI KAISHA (JP) 2011-02-03 US disclosed
EP-1509085-B1 PHOSPHONATES AND DERIVATIVES THEREOF AS ENHANCERS OF THE ACTIVITY OF INSECTICIDES SYNGENTA LTD (GB) 2009-07-15 EP disclosed
US-7491781-B2 Propylene polymer catalyst donor component INEOS USA LLC (US) 2009-02-17 US disclosed
EP-1515609-B1 HERBICIDAL COMPOSITION SYNGENTA LTD (GB) 2008-04-23 EP disclosed
US-20070179047-A1 Propylene polymer catalyst donor component INNOVENE USA (US) 2007-08-02 US disclosed
US-20060093637-A1 Phosphonates and derivatives thereof as enhancers of the activity of insecticides ADAMA CELSIUS B.V. CURACAO 2006-05-04 US disclosed
US-20050202979-A1 Power transmission fluids with enhanced extreme pressure characteristics ETHYL PETROLEUM ADDITIVES, INC. 2005-09-15 US disclosed
EP-1509085-A1 PHOSPHONATES AND DERIVATIVES THEREOF AS ENHANCERS OF THE ACTIVITY OF INSECTICIDES Syngenta Limited (GB) 2005-03-02 EP disclosed
WO-2003099012-A1 PHOSPHONATES AND DERIVATIVES THEREOF AS ENHANCERS OF THE ACTIVITY OF INSECTICIDES SYNGENTA LIMITED (GB) 2003-12-04 WO disclosed
US-6545073-B1 Reacted with a basic salt forming compound; also contain carbonization auxiliaries, a metal-containing compound having a carbonization acceleration effect, a comb-like polymer and a filler. BLOUNT DAVID H (US) 2003-04-08 US disclosed
US-5338520-A Roasting, then selective leaching with controlled amounts of aqueous nitric acid to leave residue of less soluble cerium and thorium compounds, extraction of neodymium and praseodymium compounds from acid solution RHONE-POULENC CHIMIE (FR) 1994-08-16 US disclosed
EP-0206237-B1 LUBRICANT FOR COLD PLASTIC WORKING OF ALUMINUM ALLOYS HITACHI, LTD. (JP) 1990-12-19 EP disclosed
US-4803000-A POLYOXYALKYLENE ETHER PHOSPHATES, PHOSPHONATE ESTERS HITACHI, LTD. (JP) 1989-02-07 US disclosed
EP-0282634-A1 Photocurable composition KABUSHIKI KAISHA TOSHIBA (JP) 1988-09-21 EP disclosed
EP-0206237-A2 Lubricant for cold plastic working of aluminum alloys HITACHI, LTD. (JP) 1986-12-30 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 (1 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-20060093637-A1 Phosphonates and derivatives thereof as enhancers of the activity of insecticides PHOSPHO1, PTEN, PPIP5K2 ALDH1A1 4478/4885CYP3A4 2272/4885TSHR 3041/4885

“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.