SCHEMBL2382253

SCHEMBL2382253

COC(=O)C(Cc1ccccc1)NC(=O)OC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
ATM Q13315 2/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP3A4 P08684 2/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL2381196 0.82 ALDH1A1 (0.54) ALDH1A1LMNAGLAATMGAA
SCHEMBL12246287 0.82 ALDH1A1 (0.54) ALDH1A1LMNAGLAATMGAA
SCHEMBL6295802 0.80 ATM (0.68) ALDH1A1LMNAGLAATMGAA
SCHEMBL7806984 0.80 ATM (0.68) ALDH1A1LMNAGLAATMGAA
SCHEMBL12246309 0.79 ALDH1A1 (0.55) ALDH1A1LMNARAB9ACYP2C9CYP2C19
SCHEMBL2381923 0.79 ALDH1A1 (0.55) ALDH1A1LMNARAB9ACYP2C9CYP2C19
SCHEMBL9301046 0.78 ALDH1A1 (0.61) ALDH1A1LMNAGLAATMGAA
SCHEMBL23766670 0.77 ATM (0.65) ALDH1A1LMNAGLAATMGAA
SCHEMBL1793176 0.77 GAA (0.76) ALDH1A1LMNAGLAATMGAA
SCHEMBL31206887 0.77 GAA (0.76) ALDH1A1LMNAGLAATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017776-B2 Methods for synthesis of acyloxyalkyl compounds XENOPORT, INC. (US) 2011-09-13 US disclosed
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2010-02-18 US disclosed
US-7662987-B2 Oxidation of 1-acyl alkyl compound under anhydrous condition XENOPORT, INC. (US) 2010-02-16 US disclosed
US-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds ARBOR PHARMACEUTICALS, LLC 2005-03-31 US disclosed
WO-2005010011-A2 METHODS OF SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2005-02-03 WO 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-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds AADAC, CYP2D6, CYP3A7 ALDH1A1 103/4885LMNA 3411/4885GLA 866/4885
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS AADAC, CYP2D6, CYP3A7 ALDH1A1 103/4885LMNA 3411/4885GLA 866/4885

“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.