SCHEMBL17264804

SCHEMBL17264804

CC(=O)OCC(O)CN(C)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
USP2 O75604 4/20 0.38
CYP3A4 P08684 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 3/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
CHRM1 P11229 1/20 0.32
LPAR6 P43657 1/20 0.32
LPAR1 Q92633 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
SCHEMBL9716716 0.82 POLB (0.35) MAPTSMN1; SMN2POLBCHRM1
SCHEMBL15302729 0.80 CHRM1 (0.41) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL13059988 0.78 ALDH1A1 (0.41) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL304203 0.78 TDP1 (0.54) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
Trimethylammonium SCHEMBL15821902 0.75 LMNA (0.46) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL1712993 0.74 CHRM1 (0.37) SMN1; SMN2POLBCHRM1
SCHEMBL11967754 0.74 CHRM1 (0.37) ALDH1A1USP2MAPTSMN1; SMN2POLB
SCHEMBL1712997 0.74 CYP2C19 (0.37) ALDH1A1SMN1; SMN2LMNAPOLBCHRM1
SCHEMBL8074473 0.73 ALDH1A1 (0.58) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL14193384 0.73 ALDH1A1 (0.48) ALDH1A1USP2CYP3A4MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329754-A1 LIQUID COMPOSITION DAICEL CORPORATION (JP) 2015-11-19 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-20150329754-A1 LIQUID COMPOSITION ABHD5, NAPEPLD, ELOVL5 ALDH1A1 670/4885USP2 1639/4885CYP3A4 1127/4885

“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.