SCHEMBL1603239

SCHEMBL1603239

N=C(CCC(=O)OC(=O)CCCI)OC(=O)CCCI

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 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
SCHEMBL1603587 0.92 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3184484 0.84 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL876248 0.83 ALDH1A1 (0.37) ALDH1A1
SCHEMBL34381 0.79 TSHR (0.48) ALDH1A1TSHR
SCHEMBL290459 0.79 LMNA (0.46) ALDH1A1TSHR
SCHEMBL6526444 0.79 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL6535867 0.78 DGKA (0.48) ALDH1A1TSHR
SCHEMBL1230057 0.78 TSHR (0.48) ALDH1A1TSHR
SCHEMBL905720 0.78 TSHR (0.48) ALDH1A1TSHR
SCHEMBL379359 0.78 TSHR (0.48) ALDH1A1TSHR

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-20120231459-A1 CHEMILUMINESCENT PROBES FOR MULTIPLEX MOLECULAR QUANTIFICATION AND USES THEREOF GEN-PROBE INCORPORATED (US) 2012-09-13 US disclosed
US-20110082279-A1 Chemiluminescent Compounds GEN-PROBE INCORPORATED (US) 2011-04-07 US disclosed
EP-1658503-B1 CHEMILUMINESCENT COMPOUNDS MOLECULAR LIGHT TECH RES LTD (GB) 2009-11-18 EP disclosed
US-20070166759-A1 Chemiluminescent compounds GEN-PROBE CARDIFF, LTD. (GB) 2007-07-19 US disclosed
EP-1658503-A1 CHEMILUMINESCENT COMPOUNDS Molecular Light Technology Research Limited (GB) 2006-05-24 EP disclosed
WO-2005022161-A1 CHEMILUMINESCENT COMPOUNDS MOLECULAR LIGHT TECHNOLOGY RESEARCH LIMITED (GB) 2005-03-10 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 (3 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-20070166759-A1 Chemiluminescent compounds CBR3, CBR1, LTC4S ALDH1A1 460/4885TSHR 127/4885
US-20120231459-A1 CHEMILUMINESCENT PROBES FOR MULTIPLEX MOLECULAR QUANTIFICATION AND USES THEREOF HMBS, NOD1, DCLRE1B ALDH1A1 2492/4885TSHR 3321/4885
US-20110082279-A1 Chemiluminescent Compounds CBR3, LTC4S, CBR1 ALDH1A1 585/4885TSHR 164/4885

“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.