SCHEMBL12438413

SCHEMBL12438413

CCOC(=O)C1CCCC1C(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 4/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
CCR8 P51685 1/20 0.43
SLC6A3 Q01959 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3176400 0.87 SMN1; SMN2 (0.57) KMT2AHTTSMN1; SMN2TDP1NPC1
SCHEMBL1667407 0.87 MAPT (0.45) MAPTPKMKMT2ATDP1TSHR
SCHEMBL18087022 0.85 HTT (0.45) MAPTPKMKMT2AHTTSMN1; SMN2
SCHEMBL3174235 0.84 ALDH1A1 (0.54) KMT2AHTTSMN1; SMN2TDP1ALDH1A1
SCHEMBL7865927 0.82 SMN1; SMN2 (0.52) MAPTKMT2AHTTSMN1; SMN2TDP1
SCHEMBL15046692 0.81 TAS1R3 (0.48) MAPTPKMKMT2AHTTSMN1; SMN2
SCHEMBL3172897 0.80 ELANE (0.53) KMT2AHTTSMN1; SMN2TDP1NPC1
SCHEMBL594647 0.80 TP53 (0.48) MAPTPKMALDH1A1
SCHEMBL6899600 0.80 TP53 (0.48) MAPTPKMALDH1A1
SCHEMBL594646 0.80 TP53 (0.48) MAPTPKMALDH1A1

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 4 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-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-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 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 (1 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 MAPT 3288/4885PKM 1414/4885KMT2A 872/4885

“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.