SCHEMBL1683251

SCHEMBL1683251

CCOP(=O)(OCC)C(C)(F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARD Q03181 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL10590583 0.81 TSHR (0.41) TSHRTP53TDP1PPARDALDH1A1
SCHEMBL7921583 0.80 MAPT (0.37) TSHRALDH1A1
SCHEMBL14105288 0.78 TSHR (0.40) TSHRTP53TDP1PPARDALDH1A1
SCHEMBL905270 0.78 TSHR (0.36) TSHRTP53TDP1PPARDSMN1; SMN2
SCHEMBL7490235 0.75 TSHR (0.37) TSHRTP53TDP1PPARDSMN1; SMN2
SCHEMBL10128271 0.75 TSHR (0.46) TSHRTP53TDP1PPARDALDH1A1
SCHEMBL17355672 0.74 TSHR (0.40) TSHRTP53TDP1PPARDALDH1A1
SCHEMBL1683252 0.73 TSHR (0.32) TSHRTP53TDP1PPARDSMN1; SMN2
Propene SCHEMBL28006038 0.73 TSHR (0.34) TSHRTP53TDP1PPARDCA12
SCHEMBL2079486 0.72 TSHR (0.39) TSHRTP53TDP1PPARDSMN1; SMN2

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
US-8962192-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-24 US disclosed
CN-101291903-B Novel unsaturated fatty hydroxy acid derivatives and the dermocosmetologic use thereof FABRE PIERRE DERMO COSMETIQUE 2014-09-10 CN disclosed
US-8574757-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-05 US disclosed
US-20120264011-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US disclosed
US-8158811-B2 Unsaturated fatty hydroxy acid derivatives and the dermocosmetologic use thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2012-04-17 US disclosed
US-7928254-B2 Method for preparing unsaturated fatty hydroxyacids PIERRE FABRE DERMO-COSMETIQUE (FR) 2011-04-19 US disclosed
US-20100035147-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-11 US disclosed
US-20090238784-A1 Novel Unsaturated Fatty Hydroxy Acid Derivatives and the Dermocosmetologic Use Thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2009-09-24 US disclosed
US-20080281114-A1 Novel Method for Preparing Unsaturated Fatty Hydroxyacids PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-11-13 US disclosed
CN-101291903-A Novel unsaturated fatty hydroxy acid derivatives and the dermocosmetologic use thereof FABRE PIERRE DERMO COSMETIQUE (FR) 2008-10-22 CN 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-20090238784-A1 Novel Unsaturated Fatty Hydroxy Acid Derivatives and the Dermocosmetologic Use Thereof ELOVL3, FFAR3, FASN TSHR 1800/4885TP53 4175/4885TDP1 4771/4885
US-20080281114-A1 Novel Method for Preparing Unsaturated Fatty Hydroxyacids FASN, ELOVL1, ELOVL3 TSHR 3172/4885TP53 4330/4885TDP1 4697/4885

“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.