SCHEMBL6898097

SCHEMBL6898097

COCCOCCC(=O)OCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 5/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ENPP2 Q13822 4/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2A P08913 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
SCHEMBL10087835 1.00 POLB (0.38) POLBGAATSHRMAPTALDH1A1
SCHEMBL10087841 1.00 POLB (0.38) POLBGAATSHRMAPTALDH1A1
SCHEMBL10087836 1.00 POLB (0.38) POLBGAATSHRMAPTALDH1A1
SCHEMBL17908660 0.89 MAPT (0.41) POLBGAATSHRMAPTALDH1A1
SCHEMBL17909106 0.89 MAPT (0.41) POLBGAATSHRMAPTALDH1A1
SCHEMBL17908639 0.89 MAPT (0.41) POLBGAATSHRMAPTALDH1A1
SCHEMBL20210567 0.88 TSHR (0.42) POLBGAATSHRMAPTALDH1A1
SCHEMBL10087831 0.85 TDP1 (0.44) POLBGAATSHRALDH1A1TDP1
SCHEMBL10087830 0.85 TDP1 (0.44) POLBGAATSHRALDH1A1TDP1
SCHEMBL8862786 0.85 TDP1 (0.44) POLBGAATSHRALDH1A1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 POLB 2703/4885GAA 1145/4885TSHR 1647/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B POLB 4421/4885GAA 1283/4885TSHR 3059/4885

“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.