SCHEMBL1683252

SCHEMBL1683252

CCOP(=O)(OC)C(F)(CC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PPARD Q03181 1/20 0.31
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
S1PR1 P21453 4/20 0.30
S1PR3 Q99500 4/20 0.30
S1PR2 O95136 3/20 0.30
S1PR5 Q9H228 3/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL905270 0.91 TSHR (0.36) TSHRSMN1; SMN2PPARDTP53TDP1
SCHEMBL4637563 0.78 PPARD (0.35) TSHRSMN1; SMN2PPARDTP53TDP1
SCHEMBL10590583 0.75 TSHR (0.41) TSHRPPARDTP53TDP1CA12
SCHEMBL1683251 0.73 TSHR (0.37) TSHRSMN1; SMN2PPARDTP53TDP1
SCHEMBL10128728 0.72 TSHR (0.40) TSHRPPARDTP53TDP1
SCHEMBL18048500 0.72 PPARD (0.32) TSHRPPARD
SCHEMBL25463304 0.71 TSHR (0.39) TSHRPPARDTP53TDP1
SCHEMBL11430886 0.71 TP53 (0.41) TSHRSMN1; SMN2PPARDTP53TDP1
Trifluoroacetic Acid SCHEMBL3432138 0.71 S1PR1 (0.46) TSHRPPARDS1PR1S1PR3S1PR2
SCHEMBL2079486 0.71 TSHR (0.39) TSHRSMN1; SMN2PPARDTP53TDP1

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
CN-101291903-B Novel unsaturated fatty hydroxy acid derivatives and the dermocosmetologic use thereof FABRE PIERRE DERMO COSMETIQUE 2014-09-10 CN 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-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 1800/4885SMN1; SMN2 3627/4885PPARD 66/4885
US-20080281114-A1 Novel Method for Preparing Unsaturated Fatty Hydroxyacids FASN, ELOVL1, ELOVL3 TSHR 3172/4885SMN1; SMN2 3431/4885PPARD 1256/4885

“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.