SCHEMBL917439

SCHEMBL917439

CCC(OC(=O)NCCCC(=O)Oc1ccc(Cl)cc1)OC(=O)C(C)C.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
KMT2A Q03164 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSP90AA1 P07900 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.36
LIPE Q05469 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL638808 0.89 TAAR1 (0.39) TAAR1KMT2ATDP1HSP90AA1SMN1; SMN2
SCHEMBL638583 0.88 MGLL (0.39) TAAR1KMT2ATDP1BCHELIPE
SCHEMBL637521 0.86 ELANE (0.40) TAAR1KMT2ATDP1HSP90AA1LMNA
SCHEMBL636937 0.85 TAAR1 (0.43) TAAR1KMT2ATDP1HSP90AA1MEN1
SCHEMBL636819 0.82 EPHX2 (0.35) TAAR1KMT2ATDP1SMN1; SMN2EPHX2
SCHEMBL2231640 0.82 TAAR1 (0.44) TAAR1KMT2ATDP1HSP90AA1SMN1; SMN2
SCHEMBL916227 0.81 EPHX2 (0.36) TAAR1KMT2ATDP1SMN1; SMN2EPHX2
SCHEMBL637631 0.81 MGLL (0.38) TAAR1KMT2ATDP1MEN1LMNA
SCHEMBL637967 0.81 MGLL (0.38) TAAR1KMT2ATDP1MEN1LMNA
SCHEMBL636954 0.81 MGLL (0.38) TAAR1KMT2ATDP1MEN1LMNA

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-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2011-01-27 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-20110021571-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE APEH, ABAT, SI TAAR1 1740/4885KMT2A 2442/4885TDP1 852/4885

“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.