SCHEMBL4018610

SCHEMBL4018610

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nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.31
GGT1 P19440 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
GRM2 Q14416 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL4021095 1.00 CYP1A2 (0.38) CYP1A2CYP2D6ALDH1A1TP53TSHR
Hydrochloric Acid SCHEMBL28509134 0.98 CYP1A2 (0.36) CYP1A2CYP2D6ALDH1A1TP53TSHR
SCHEMBL15917740 0.82 CYP1A2 (0.39) CYP1A2CYP2D6ALDH1A1TP53TSHR
Acetic Acid SCHEMBL9130936 0.75 ALDH1A1 (0.32) CYP1A2CYP2D6ALDH1A1TP53TSHR
SCHEMBL574756 0.74
SCHEMBL19862759 0.74
SCHEMBL594190 0.74
SCHEMBL21641518 0.74
SCHEMBL9271747 0.74
SCHEMBL161194 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286763-A1 AMINO ACID DERIVED PRODRUGS OF PROPOFOL, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-11-19 US disclosed
US-7550506-B2 Amino acid derived prodrugs of propofol, compositions and uses thereof XENOPORT, INC. (US) 2009-06-23 US disclosed
EP-1781596-B1 AMINO ACID DERIVED PRODRUGS OF PROPOFOL COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2008-10-08 EP disclosed
EP-1781596-A1 AMINO ACID DERIVED PRODRUGS OF PROPOFOL COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2007-05-09 EP disclosed
US-20060100160-A1 Amino acid derived prodrugs of propofol, compositions and uses thereof XENOPORT, INC. 2006-05-11 US disclosed
WO-2006017352-A1 AMINO ACID DERIVED PRODRUGS OF PROPOFOL, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2006-02-16 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-20060100160-A1 Amino acid derived prodrugs of propofol, compositions and uses thereof SLC1A1, SLC1A5, SLC1A2 CYP1A2 169/4885CYP2D6 40/4885ALDH1A1 3969/4885
US-20090286763-A1 AMINO ACID DERIVED PRODRUGS OF PROPOFOL, COMPOSITIONS AND USES THEREOF SLC1A1, SLC1A5, SLC1A2 CYP1A2 169/4885CYP2D6 40/4885ALDH1A1 3969/4885

“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.