SCHEMBL969883

SCHEMBL969883

CCCCC(CC)CP(=O)(O)CC(C)CC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
FDPS P14324 6/20 0.37
CA2 P00918 4/20 0.36
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 3/20 0.33
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 1/20 0.32

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
Heptane SCHEMBL28418481 0.84 FDPS (0.41) FDPS
SCHEMBL228798 0.83 ALDH1A1 (0.52) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL4183657 0.82 ALDH1A1 (0.38) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL4183656 0.82 CYP3A4 (0.39) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL641159 0.82 ALDH1A1 (0.50) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL674509 0.82 ALDH1A1 (0.50) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL154361 0.82 ALDH1A1 (0.50) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL673442 0.82 ALDH1A1 (0.50) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL19878122 0.80 CYP3A4 (0.46) CYP3A4L3MBTL1ALDH1A1FDPSCA2
SCHEMBL989187 0.80 CYP3A4 (0.33) CYP3A4L3MBTL1ALDH1A1FDPSCA2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029613-B1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION CYTEC CANADA INC (CA) 2016-07-20 EP claimed
US-9102695-B2 Phosphinic acids and their sulfur derivatives and methods for their preparation CYTEC TECHNOLOGY CORP. (US) 2015-08-11 US claimed
US-8968698-B2 Processes for recovering metals from aqueous solutions CYTEC TECHNOLOGY CORP. (US) 2015-03-03 US claimed
US-20140275615-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION CYTEC TECHNOLOGY CORP. (US) 2014-09-18 US claimed
US-8764880-B2 Phosphinic acids and their sulfur derivatives and methods for their preparation CYTEC CANADA INC. (CA) 2014-07-01 US claimed
US-8328900-B2 Processes for recovering metals from aqueous solutions CYTEC TECHNOLOGY CORP. (US) 2012-12-11 US claimed
US-20090165598-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION CYTEC CANADA INC. (CA) 2009-07-02 US claimed
US-9822425-B2 Processes for recovering metals from aqueous solutions CYTEC TECHNOLOGY CORP. (US) 2017-11-21 US disclosed
CN-106632465-A Synthetic method for (2-ethylhexyl)(2,4,4'-trimehtyl amyl) phosphinic acid 北京科技大学 2017-05-10 CN disclosed
EP-2029613-B1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION CYTEC CANADA INC (CA) 2016-07-20 EP disclosed
US-9102695-B2 Phosphinic acids and their sulfur derivatives and methods for their preparation CYTEC TECHNOLOGY CORP. (US) 2015-08-11 US disclosed
US-20150135903-A1 PROCESSES FOR RECOVERING METALS FROM AQUEOUS SOLUTIONS CYTEC TECHNOLOGY CORP. (US) 2015-05-21 US disclosed
US-8968698-B2 Processes for recovering metals from aqueous solutions CYTEC TECHNOLOGY CORP. (US) 2015-03-03 US disclosed
US-8764880-B2 Phosphinic acids and their sulfur derivatives and methods for their preparation CYTEC CANADA INC. (CA) 2014-07-01 US disclosed
US-20140127095-A1 PROCESSES FOR RECOVERING METALS FROM AQUEOUS SOLUTIONS CYTEC TECHNOLOGY CORP. (US) 2014-05-08 US disclosed
US-8328900-B2 Processes for recovering metals from aqueous solutions CYTEC TECHNOLOGY CORP. (US) 2012-12-11 US disclosed
EP-2451985-A2 PROCESSES FOR RECOVERING METALS FROM AQUEOUS SOLUTIONS Cytec Technology Corporation (US) 2012-05-16 EP disclosed
WO-2011005736-A2 PROCESSES FOR RECOVERING METALS FROM AQUEOUS SOLUTIONS CYTEC TECHNOLOGY CORP. (US) 2011-01-13 WO disclosed
US-20110005354-A1 PROCESSES FOR RECOVERING METALS FROM AQUEOUS SOLUTIONS CYTEC TECHNOLOGY CORP. (US) 2011-01-13 US disclosed
US-20090165598-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION CYTEC CANADA INC. (CA) 2009-07-02 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 (2 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-20140275615-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION PHOSPHO1, PRDX2, PRDX1 CYP3A4 4229/4885L3MBTL1 2994/4885ALDH1A1 2940/4885
US-20090165598-A1 NOVEL PHOSPHINIC ACIDS AND THEIR SULFUR DERIVATIVES AND METHODS FOR THEIR PREPARATION PRDX2, PRDX1, PRDX6 CYP3A4 4136/4885L3MBTL1 3111/4885ALDH1A1 2637/4885

“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.