SCHEMBL15058409

SCHEMBL15058409

CC(C)CCP(=O)(O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
TDP1 Q9NUW8 1/20 0.35
ANPEP P15144 3/20 0.33
LAP3 P28838 2/20 0.33
GRM4 Q14833 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
FDPS P14324 2/20 0.31
MMP8 P22894 2/20 0.31
MMP1 P03956 1/20 0.31
CA1 P00915 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL701768 0.74
SCHEMBL27967901 0.74 ALDH1A1 (0.48) ALDH1A1TRPM8TDP1ANPEPLAP3
SCHEMBL6654979 0.70
SCHEMBL14146243 0.68 LMNA (0.38) ALDH1A1TRPM8TDP1ANPEPLAP3
SCHEMBL17488991 0.68 LMNA (0.40) GRM4FDPSMMP2
SCHEMBL10655372 0.68 TRPM8 (0.52) ALDH1A1TRPM8TDP1ANPEPLAP3
SCHEMBL5140906 0.67 GABBR2 (0.56) ALDH1A1GABBR2GABBR1FDPS
SCHEMBL13291847 0.67 LMNA (0.36) ALDH1A1TRPM8TDP1ANPEPLAP3
SCHEMBL3941968 0.67 GRM8 (0.38) TDP1GRM4
SCHEMBL13057236 0.66

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-10246640-B2 Mixtures of at least one dialkylphosphinic acid with at least one other dialkylphosphinic acid that is different therefrom, method for production thereof, and use thereof CLARIANT INTERNATIONAL LTD. (CH) 2019-04-02 US disclosed
US-20180010047-A1 Mixtures Of At Least One Dialkylphosphinic Acid With At Least One Other Dialkylphosphinic Acid That Is Different Therefrom, Method For Production Thereof, And Use Thereof CLARIANT INTERNATIONAL LTD. (CH) 2018-01-11 US disclosed
EP-2794623-B1 MIXTURES OF AT LEAST ONE DIALKYLPHOSPHINIC ACID WITH AT LEAST ONE OTHER DIALKYLPHOSPHINIC ACID THAT IS DIFFERENT THEREFROM, METHOD FOR PRODUCTION THEREOF, AND USE THEREOF CLARIANT INT LTD (CH) 2017-10-18 EP disclosed
US-20140350149-A1 Mixtures Of At Least One Dialkylphosphinic Acid With At Least One Other Dialkylphosphinic Acid That Is Different Therefrom, Method For Production Thereof, And Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-11-27 US disclosed
EP-2794623-A1 MIXTURES OF AT LEAST ONE DIALKYLPHOSPHINIC ACID WITH AT LEAST ONE OTHER DIALKYLPHOSPHINIC ACID THAT IS DIFFERENT THEREFROM, METHOD FOR PRODUCTION THEREOF, AND USE THEREOF Clariant Finance (BV) Limited (VG) 2014-10-29 EP disclosed
WO-2013091805-A1 MIXTURES OF AT LEAST ONE DIALKYLPHOSPHINIC ACID WITH AT LEAST ONE OTHER DIALKYLPHOSPHINIC ACID THAT IS DIFFERENT THEREFROM, METHOD FOR PRODUCTION THEREOF, AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2013-06-27 WO 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-10246640-B2 Mixtures of at least one dialkylphosphinic acid with at least one other dialkylphosphinic acid that is different therefrom, method for production thereof, and use thereof CYP27A1, CYP21A2, CYP46A1 ALDH1A1 363/4885TRPM8 4683/4885TDP1 2975/4885
US-20180010047-A1 Mixtures Of At Least One Dialkylphosphinic Acid With At Least One Other Dialkylphosphinic Acid That Is Different Therefrom, Method For Production Thereof, And Use Thereof CYP21A2, CYP27A1, CYP46A1 ALDH1A1 418/4885TRPM8 4568/4885TDP1 3121/4885

“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.