SCHEMBL4192255

SCHEMBL4192255

CCCCCOC(=O)C12C=CC(C)(CC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
TSHR P16473 4/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HCAR2 Q8TDS4 2/20 0.36
PSEN1 P49768 3/20 0.35
CES2 O00748 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL16086360 0.72 NAAA (0.50) NAAATSHRTP53CYP3A4MAPK1
SCHEMBL2854609 0.71 NAAA (0.46) NAAATSHRTP53CYP3A4MAPK1
SCHEMBL17812722 0.71 NAAA (0.53) NAAATSHREPHX1ALDH1A1LMNA
SCHEMBL17812787 0.71 NAAA (0.53) NAAATSHREPHX1ALDH1A1LMNA
SCHEMBL17812497 0.71 NAAA (0.53) NAAATSHREPHX1ALDH1A1LMNA
SCHEMBL16086396 0.71 NAAA (0.53) NAAATSHREPHX1ALDH1A1LMNA
SCHEMBL17812506 0.71 NAAA (0.53) NAAATSHREPHX1ALDH1A1LMNA
SCHEMBL17812550 0.71 NAAA (0.53) NAAATSHREPHX1ALDH1A1LMNA
SCHEMBL17812746 0.71 NAAA (0.53) NAAATSHREPHX1ALDH1A1LMNA
SCHEMBL17812648 0.71 NAAA (0.53) NAAATSHREPHX1ALDH1A1LMNA

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-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 NAAA 1958/4885TSHR 3665/4885TP53 4382/4885

“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.