SCHEMBL3160634

SCHEMBL3160634

CC(C)c1cccc(C(C)C)c1OC(=O)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL2677653 0.86 EPHX2 (0.51)
SCHEMBL1999900 0.84 ALDH1A1 (0.48) CA1CA2MEN1KMT2AGAA
SCHEMBL23299308 0.83 EPHX2 (0.44)
Trifluoroacetic Acid SCHEMBL3170178 0.82 CA2 (0.44) CA2MEN1KMT2A
SCHEMBL29997545 0.81 EPHX2 (0.41) GAAKDM4EGLAMAPTHPGD
SCHEMBL3170771 0.81 SCN5A (0.53) CA1CA2
SCHEMBL10241525 0.80 TDP1 (0.48) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL2678579 0.80 TDP1 (0.48) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL5200736 0.80 ALDH1A1 (0.45) CA1CA2MEN1KMT2AGAA
SCHEMBL3167587 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645792-B2 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. (US) 2010-01-12 US disclosed
US-20090005352-A1 Prodrugs of Propofol, Compositions and Uses Thereof XENOPORT, INC. (US) 2009-01-01 US disclosed
US-7241807-B2 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. (US) 2007-07-10 US disclosed
US-20060041011-A1 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. 2006-02-23 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-20060041011-A1 Prodrugs of propofol, compositions and uses thereof CYP2C19, CYP3A5, CYP3A4 CA1 1129/4885CA2 1444/4885MEN1 370/4885
US-20090005352-A1 Prodrugs of Propofol, Compositions and Uses Thereof CYP2C19, CYP3A5, CYP3A4 CA1 1129/4885CA2 1444/4885MEN1 370/4885

“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.