SCHEMBL4650347

SCHEMBL4650347

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL4650508 0.77 ALDH1A1 (0.36) ALDH1A1THRBRECQLCYP2C19
SCHEMBL11335436 0.72
SCHEMBL4650373 0.70 ALDH1A1 (0.39) ALDH1A1THRBRECQLCYP2C19TSHR
SCHEMBL45523 0.69
SCHEMBL30170231 0.69
SCHEMBL11290734 0.69 ALDH1A1 (0.44) ALDH1A1THRBRECQLCYP2C19TSHR
SCHEMBL11680928 0.68 ALDH1A1 (0.38) ALDH1A1THRBRECQLCYP2C19TSHR
SCHEMBL6380221 0.67 ALDH1A1 (0.42) ALDH1A1THRBRECQLCYP2C19TSHR
Hydrochloric Acid SCHEMBL11288648 0.67 ALDH1A1 (0.42) ALDH1A1THRBRECQLCYP2C19TSHR
SCHEMBL9619757 0.67

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 ALDH1A1 2735/4885THRB 1758/4885RECQL 844/4885

“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.