SCHEMBL4199147

SCHEMBL4199147

CCCC(C)CC=CC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HCAR2 Q8TDS4 4/20 0.46
ALDH1A1 P00352 2/20 0.41
TTR P02766 1/20 0.37
DPP4 P27487 1/20 0.37
ATM Q13315 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 3/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
MDM2 Q00987 2/20 0.33
MDM4 O15151 1/20 0.33

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
SCHEMBL4195956 1.00 MAPT (0.46) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL4195959 1.00 MAPT (0.46) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL5162749 0.90 MAPT (0.47) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL4195921 0.90 MAPT (0.47) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL4195917 0.90 MAPT (0.47) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL4195920 0.90 MAPT (0.47) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL4195643 0.85 MAPT (0.49) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL3113307 0.85 MAPT (0.49) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL4195651 0.85 MAPT (0.49) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL3113308 0.85 MAPT (0.49) MAPTHCAR2ALDH1A1TTRDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 US claimed
US-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 US disclosed
EP-1768952-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Warner-Lambert Company LLC (US) 2007-04-04 EP disclosed
WO-2006100606-A2 PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION WARNER-LAMBERT COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006008612-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2006-01-26 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 (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-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN SCN2A, SCN1A, ORAI2 MAPT 1557/4885HCAR2 1055/4885ALDH1A1 1839/4885

“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.