SCHEMBL10317032

SCHEMBL10317032

CCCCC(CCCC)(OCCOP(=O)(O)O)C(CCCC)(CCCC)OP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.49
LPAR1 Q92633 7/20 0.49
LPAR2 Q9HBW0 6/20 0.49
SMPD1 P17405 3/20 0.44
FDPS P14324 1/20 0.37
LPAR5 Q9H1C0 1/20 0.36
S1PR4 O95977 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
ENPP2 Q13822 1/20 0.33

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
SCHEMBL10316879 0.81 LPAR3 (0.42) LPAR3LPAR1LPAR2SMPD1LPAR5
SCHEMBL11299568 0.80 LPAR3 (0.32) LPAR3LPAR1LPAR2
SCHEMBL5963861 0.71 SMPD1 (0.44) LPAR3LPAR1LPAR2SMPD1FDPS
SCHEMBL55728 0.70
SCHEMBL28747383 0.70 LPAR3 (0.82) LPAR3LPAR1LPAR2LPAR5
SCHEMBL25174013 0.70 SMPD1 (0.53) LPAR3LPAR1LPAR2SMPD1FDPS
SCHEMBL5908894 0.70 SMPD1 (0.53) LPAR3LPAR1LPAR2SMPD1FDPS
SCHEMBL6746776 0.69 LPAR3 (0.71) LPAR3LPAR1LPAR2SMPD1FDPS
SCHEMBL10317026 0.69 LPAR3 (0.41) LPAR3LPAR1LPAR2SMPD1
SCHEMBL28653187 0.69 SMPD1 (0.57) LPAR3LPAR1LPAR2SMPD1FDPS

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 11 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-2476686-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-2479179-A1 Process for the preparation of alkylphosphates LANXESS Deutschland GmbH (DE) 2012-07-25 EP disclosed
EP-2479178-A1 Process for the preparation of alkylphosphates LANXESS Deutschland GmbH (DE) 2012-07-25 EP disclosed
US-20120184766-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-20120184764-A1 Process for preparing alkyl phosphates LANXESS DEUTSCHLAND GMBH (DE) 2012-07-19 US disclosed
EP-2476685-A1 Method for manufacturing alkyl-phosphates Lanxess Deutschland GmbH (DE) 2012-07-18 EP disclosed
EP-2476684-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 LPAR3 361/4885LPAR1 409/4885LPAR2 430/4885
US-20120184766-A1 Process for preparing alkyl phosphates PHOSPHO1, PNKP, PLCB3 LPAR3 354/4885LPAR1 418/4885LPAR2 380/4885
US-20120184765-A1 Process for preparing alkyl phosphates PNKP, PHOSPHO1, DCTPP1 LPAR3 361/4885LPAR1 409/4885LPAR2 430/4885

“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.