SCHEMBL10316593

SCHEMBL10316593

O=P(Cl)(Cl)OCCCCOP(=O)(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.39
LPAR3 Q9UBY5 7/20 0.39
LPAR2 Q9HBW0 6/20 0.39
LPAR1 Q92633 4/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CDC25A P30304 1/20 0.30
AGTR1 P30556 1/20 0.30
AKT1 P31749 1/20 0.30
ADRA1A P35348 1/20 0.30
KCNH2 Q12809 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
SCHEMBL251880 0.87 LPAR3 (0.58) TP53TDP1CYP3A4LPAR3LPAR2
SCHEMBL9685526 0.87 TP53 (0.40) TP53TDP1CYP3A4LPAR3LPAR2
SCHEMBL30946964 0.86 TP53 (0.56) TP53TDP1CYP3A4ALDH1A1
SCHEMBL10933894 0.85
SCHEMBL25170776 0.84 LPAR3 (0.61) TP53TDP1CYP3A4LPAR3LPAR2
SCHEMBL7550122 0.84 LPAR3 (0.61) TP53TDP1CYP3A4LPAR3LPAR2
SCHEMBL11292820 0.84 TP53 (0.39) TP53TDP1CYP3A4LPAR3LPAR2
SCHEMBL8674267 0.84 TP53 (0.39) TP53TDP1CYP3A4LPAR3LPAR2
SCHEMBL11290063 0.84 LPAR3 (0.61) TP53TDP1CYP3A4LPAR3LPAR2
SCHEMBL10597981 0.84 TP53 (0.39) TP53TDP1CYP3A4LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2476685-B1 Method for manufacturing alkyl-phosphates LANXESS DEUTSCHLAND GMBH (DE) 2017-08-02 EP disclosed
EP-2476684-B1 Method for manufacturing alkyl-phosphates LANXESS DEUTSCHLAND GMBH (DE) 2017-07-19 EP disclosed
US-8846967-B2 Process for preparing alkyl phosphates LANXESS DEUTSCHLAND GMBH (DE) 2014-09-30 US disclosed
EP-2479178-A1 Process for the preparation of alkylphosphates LANXESS Deutschland GmbH (DE) 2012-07-25 EP disclosed
EP-2479179-A1 Process for the preparation of alkylphosphates LANXESS Deutschland GmbH (DE) 2012-07-25 EP disclosed
US-20120184764-A1 Process for preparing alkyl phosphates LANXESS DEUTSCHLAND GMBH (DE) 2012-07-19 US disclosed
US-20120184765-A1 Process for preparing alkyl phosphates LANXESS DEUTSCHLAND GMBH (DE) 2012-07-19 US disclosed
US-20120184766-A1 Process for preparing alkyl phosphates LANXESS DEUTSCHLAND GMBH (DE) 2012-07-19 US disclosed
EP-2476684-A1 Method for manufacturing alkyl-phosphates Lanxess Deutschland GmbH (DE) 2012-07-18 EP disclosed
EP-2476685-A1 Method for manufacturing alkyl-phosphates Lanxess Deutschland GmbH (DE) 2012-07-18 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 (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-20120184764-A1 Process for preparing alkyl phosphates PNKP, PHOSPHO1, DCTPP1 TP53 3358/4885TDP1 1821/4885CYP3A4 2486/4885
US-20120184766-A1 Process for preparing alkyl phosphates PHOSPHO1, PNKP, PLCB3 TP53 4006/4885TDP1 1594/4885CYP3A4 1968/4885
US-20120184765-A1 Process for preparing alkyl phosphates PNKP, PHOSPHO1, DCTPP1 TP53 3358/4885TDP1 1821/4885CYP3A4 2486/4885

“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.