SCHEMBL19065291

SCHEMBL19065291

CC(=O)OC(OC(=O)NCCCC(=O)Oc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KLK7 P49862 1/20 0.37
HSP90AA1 P07900 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
UTS2R Q9UKP6 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
SCHEMBL638844 0.99 TAAR1 (0.45) TAAR1KMT2ATDP1ALDH1A1CNR1
SCHEMBL2231584 0.83 TAAR1 (0.41) TAAR1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL640972 0.82 TAAR1 (0.41) TAAR1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL2230591 0.81 KMT2A (0.42) TAAR1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL916877 0.81 KMT2A (0.41) TAAR1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL2231640 0.79 TAAR1 (0.44) TAAR1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL636954 0.79 MGLL (0.38) TAAR1KMT2ATDP1ALDH1A1MEN1
SCHEMBL917276 0.78 TAAR1 (0.45) TAAR1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL2230122 0.78 TAAR1 (0.42) TAAR1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL636937 0.76 TAAR1 (0.43) TAAR1KMT2ATDP1HSP90AA1MEN1

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-20170190657-A1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2017-07-06 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-20170190657-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.