SCHEMBL809341

SCHEMBL809341

CCOC(=O)C(Cl)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SLC1A1 P43005 1/20 0.49
ALDH1A1 P00352 3/20 0.46
MMP8 P22894 1/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
PIN1 Q13526 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11025934 0.89 ALDH1A1 (0.55) LMNAL3MBTL1SLC1A1ALDH1A1CA1
SCHEMBL31532269 0.86 ALDH1A1 (0.47) L3MBTL1SLC1A1ALDH1A1CA1CA2
SCHEMBL31532270 0.86 ALDH1A1 (0.47) L3MBTL1SLC1A1ALDH1A1CA1CA2
SCHEMBL17783287 0.84 MMP8 (0.55) LMNAL3MBTL1SLC1A1ALDH1A1MMP8
SCHEMBL392233 0.83 LMNA (0.54) LMNAL3MBTL1SLC1A1ALDH1A1MMP8
SCHEMBL1785822 0.83 CA1 (0.50) LMNAL3MBTL1SLC1A1ALDH1A1MMP8
SCHEMBL1785824 0.83 CA1 (0.50) LMNAL3MBTL1SLC1A1ALDH1A1MMP8
SCHEMBL27846599 0.82 PPARA (0.53) L3MBTL1SLC1A1ALDH1A1CA1CA2
SCHEMBL809052 0.82 SLC1A1 (0.55) SLC1A1ALDH1A1CA1CA2CA7
SCHEMBL13198428 0.81 SLC1A1 (0.56) LMNAL3MBTL1SLC1A1ALDH1A1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1588998-B1 A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt BRACCO IMAGING SPA (IT) 2011-11-30 EP disclosed
EP-1588998-A1 A process for the preparation of 2-chloro-3-(phenylmethoxy)propionic acid potassium salt Bracco Imaging S.p.A. (IT) 2005-10-26 EP disclosed
EP-1272493-B1 A PROCESS FOR THE PREPARATION OF DECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENT[FG]ACENAPHTHYLENE AND FUNCTIONALIZED DERIVATIVES BRACCO INT BV (NL) 2005-10-19 EP disclosed
US-6897311-B2 Process for the preparation of decahydro-2a,4a,6a,8a-tetraazacyclopent[fg]acenaphthylene and functionalized derivatives BRACCO INTERNATIONAL BV (NL) 2005-05-24 US disclosed
US-20040014974-A1 Process for the preparation of decahydro-2a,4a,6a,8a-tetraazacyclopent[fg]acenaphthylene and functionalized derivatives BRACCO INTERNATIONAL BV (NL) 2004-01-22 US disclosed
EP-1272493-A2 A PROCESS FOR THE PREPARATION OF DECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENT[FG]ACENAPHTHYLENE AND FUNCTIONALIZED DERIVATIVES BRACCO INTERNATIONAL B.V. (NL) 2003-01-08 EP disclosed
WO-2001079207-A2 A PROCESS FOR THE PREPARATION OF DECAHYDRO-2A,4A,6A,8A-TETRAAZACYCLOPENT[FG]ACENAPHTHYLENE AND FUNCTIONALIZED DERIVATIVES BRACCO INTERNATIONAL BV (NL) 2001-10-25 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-20040014974-A1 Process for the preparation of decahydro-2a,4a,6a,8a-tetraazacyclopent[fg]acenaphthylene and functionalized derivatives CYP4F2, CYP4A11, CYP4F11 LMNA 1390/4885L3MBTL1 4787/4885SLC1A1 4326/4885

“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.