SCHEMBL4650341

SCHEMBL4650341

CC(=O)C(Br)C(Br)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.69
ALDH1A1 P00352 4/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.38
LCK P06239 2/20 0.35
FFAR3 O14843 1/20 0.35
FYN P06241 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 2/20 0.35
PPARD Q03181 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
LMNA P02545 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
SCHEMBL1964524 0.87 CYP2C19 (0.44) CYP2C19ALDH1A1THRBRECQLLCK
SCHEMBL28581632 0.83 CYP2C19 (1.00) CYP2C19ALDH1A1THRBRECQLCYP1A2
SCHEMBL29093728 0.83 CYP2C19 (1.00) CYP2C19ALDH1A1THRBRECQLCYP1A2
SCHEMBL29093071 0.83 CYP2C19 (1.00) CYP2C19ALDH1A1THRBRECQLCYP1A2
SCHEMBL337864 0.83 CYP2C19 (1.00) CYP2C19ALDH1A1THRBRECQLCYP1A2
SCHEMBL713394 0.83 CYP2C19 (1.00) CYP2C19ALDH1A1THRBRECQLCYP1A2
SCHEMBL28575504 0.83 CYP2C19 (1.00) CYP2C19ALDH1A1THRBRECQLCYP1A2
SCHEMBL27556706 0.79 CYP2C19 (0.92) CYP2C19ALDH1A1THRBRECQLCYP1A2
SCHEMBL1413252 0.77 CYP2C19 (0.45) CYP2C19ALDH1A1THRBRECQLLCK
Alcohol SCHEMBL27835178 0.75 CYP2C19 (0.69) CYP2C19ALDH1A1THRBRECQLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294705-B1 SYNTHESIS OF CYCLIC COMPOUNDS BIOSIGNAL LTD (AU) 2008-09-10 EP claimed
EP-1294705-A4 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LTD (AU) 2005-02-09 EP claimed
US-20040110966-A1 Synthesis of cyclic compounds UNISEARCH LIMITED (AU) 2004-06-10 US claimed
EP-1294705-A1 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LIMITED (AU) 2003-03-26 EP claimed
WO-2002000639-A1 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LIMITED (AU) 2002-01-03 WO claimed
EP-1294705-B1 SYNTHESIS OF CYCLIC COMPOUNDS BIOSIGNAL LTD (AU) 2008-09-10 EP disclosed
US-6958145-B2 Synthesis of cyclic compounds UNISEARCH LIMITED (AU) 2005-10-25 US disclosed
EP-1294705-A4 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LTD (AU) 2005-02-09 EP disclosed
US-20040110966-A1 Synthesis of cyclic compounds UNISEARCH LIMITED (AU) 2004-06-10 US disclosed
EP-1294705-A1 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LIMITED (AU) 2003-03-26 EP disclosed
WO-2002000639-A1 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LIMITED (AU) 2002-01-03 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-20040110966-A1 Synthesis of cyclic compounds RFC2, POLR2H, REV1 CYP2C19 537/4885ALDH1A1 2735/4885THRB 1758/4885

“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.