SCHEMBL2991464

SCHEMBL2991464

CCCCCC[C@@H](CC)COC=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 5/20 0.41
ADH1B P00325 2/20 0.40
ADH1C P00326 2/20 0.40
ADH1A P07327 2/20 0.40
ADH4 P08319 2/20 0.40
ADH7 P40394 2/20 0.40
FDPS P14324 3/20 0.38
CA2 P00918 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL1110041 1.00 CYP3A4 (0.47) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL27855009 1.00 CYP3A4 (0.47) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL28017693 1.00 CYP3A4 (0.47) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL28278270 0.98 CYP3A4 (0.46) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL28235133 0.98 CYP3A4 (0.46) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL3030456 0.98 CYP3A4 (0.48) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL10527252 0.93 PRSS1 (0.42) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL25044109 0.92 LMNA (0.45) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL7209541 0.92 LMNA (0.45) CYP3A4L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL96308 0.92 CYP3A4 (0.55) CYP3A4L3MBTL1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324272-B2 Levodopa dimethyl-substituted diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
US-20100173992-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2010-07-08 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-20100173992-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE COMT, DDT, DDC CYP3A4 417/4885L3MBTL1 297/4885PRSS1 1796/4885

“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.