SCHEMBL6900350

SCHEMBL6900350

CCCC(=O)O[C@@H](C)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 5/20 0.42
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKCA P17252 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34

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
SCHEMBL10087903 1.00 ALDH1A1 (0.44) ALDH1A1LMNAMGAMGAASI
SCHEMBL20456993 0.88 LMNA (0.53) ALDH1A1LMNAL3MBTL1CYP1A2MAPT
SCHEMBL17470593 0.88 LMNA (0.53) ALDH1A1LMNAL3MBTL1CYP1A2MAPT
SCHEMBL18127567 0.88 LMNA (0.52) ALDH1A1LMNAGAACYP1A2MAPT
SCHEMBL6900279 0.86 LMNA (0.61) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL18127585 0.86 LMNA (0.55) ALDH1A1LMNAGAACYP1A2MAPT
SCHEMBL18127569 0.86 LMNA (0.55) ALDH1A1LMNAGAACYP1A2MAPT
SCHEMBL18388316 0.85 LMNA (0.65) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL12120652 0.85 LMNA (0.65) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL11827991 0.83 LMNA (0.62) ALDH1A1LMNAMAPTMAPK1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 74/4885LMNA 2321/4885MGAM 3144/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B ALDH1A1 760/4885LMNA 3322/4885MGAM 2079/4885

“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.