SCHEMBL340446

SCHEMBL340446

CCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(O)O.CCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(O)O.[Ni]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.44
LMNA P02545 3/20 0.44
RECQL P46063 1/20 0.44
NR1I2 O75469 1/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
TYR P14679 1/20 0.40
CYP1A2 P05177 5/20 0.39
TSHR P16473 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL4689967 0.98 HMGCR (0.46) HMGCRLMNARECQLNR1I2CA2
Calcium SCHEMBL7116377 0.97 HMGCR (0.44) HMGCRLMNARECQLNR1I2CA2
SCHEMBL5670221 0.89 HMGCR (0.46) HMGCRLMNARECQLNR1I2CA2
SCHEMBL5486244 0.86 HMGCR (0.43) HMGCRLMNARECQLNR1I2CA2
SCHEMBL30877006 0.84 HMGCR (0.53) HMGCRLMNARECQLNR1I2ALDH1A1
SCHEMBL911831 0.83 HMGCR (0.43) HMGCRLMNARECQLNR1I2CA2
SCHEMBL563208 0.83 HMGCR (0.43) HMGCRLMNARECQLNR1I2CA2
SCHEMBL916917 0.83 HMGCR (0.43) HMGCRLMNARECQLNR1I2CA2
Potassium Ion SCHEMBL5912033 0.83 HMGCR (0.43) HMGCRLMNARECQLNR1I2CA2
SCHEMBL915240 0.83 HMGCR (0.43) HMGCRLMNARECQLNR1I2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097753-B2 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation CLARIANT FINANCE (BVI) LIMITED (VG) 2012-01-17 US disclosed
US-7485745-B2 Mixtures composed of monocarboxy-functionalized dialkylphosphinic esters and of further components CLARIANT INTERNATIONAL LTD. (CH) 2009-02-03 US disclosed
US-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation CLARIANT INTERNATIONAL LTD 2007-09-13 US disclosed
US-20070213563-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic acid salts, their use und a process for their preparation CLARIANT INTERNATIONAL LTD 2007-09-13 US disclosed
US-20070210288-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic esters and of further components CLARIANT INTERNATIONAL LTD 2007-09-13 US disclosed
US-20060226404-A1 Stabilized flame retardant CLARIANT PRODUKTE (DEUTSCHLAND) GMBH 2006-10-12 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 (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-20070213563-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic acid salts, their use und a process for their preparation DBH, HBB, ALKBH3 HMGCR 1266/4885LMNA 1767/4885RECQL 3908/4885
US-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation PAH, ALKBH3, FTO HMGCR 2564/4885LMNA 1280/4885RECQL 3028/4885
US-20070210288-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic esters and of further components ALKBH3, FFAR3, EBP HMGCR 1118/4885LMNA 1016/4885RECQL 2279/4885

“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.