SCHEMBL1304895

SCHEMBL1304895

COc1ccc(C(=O)CCC2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
KLK7 P49862 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4A P27815 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
EPHX2 P34913 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MMP1 P03956 1/20 0.51
MDM2 Q00987 1/20 0.50

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
SCHEMBL11400510 0.85 TDP1 (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2PDE4B
SCHEMBL10918323 0.83 POLB (0.60) ALDH1A1MAPTKMT2APOLBSMN1; SMN2
SCHEMBL2439424 0.83 NPC1 (0.62) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL12572520 0.83 NPC1 (0.62) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL12568921 0.81 KMT2A (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2PDE4B
SCHEMBL2438999 0.80 NPC1 (0.66) ALDH1A1KMT2APOLBMEN1SMN1; SMN2
SCHEMBL23802436 0.80 PDE4A (0.47) ALDH1A1LMNAKLK7SMN1; SMN2PDE4B
SCHEMBL18461194 0.80 POLB (0.57) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL6702788 0.79 ACHE (0.62) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL13912376 0.79 KMT2A (0.68) ALDH1A1MAPTKMT2AMEN1LMNA

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
EP-2772488-B1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof INST PHARM & TOXICOLOGY AMMS (CN) 2016-11-02 EP disclosed
EP-2772488-A1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L. A. China (CN) 2014-09-03 EP disclosed
EP-2042494-B1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2014-07-09 EP disclosed
US-8053581-B2 Trisubstituted thiazole compounds, preparations methods, pharmaceutical compositions and medicals uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.C. China (CN) 2011-11-08 US disclosed
US-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2009-12-03 US disclosed
EP-2042494-A1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2009-04-01 EP 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-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF CETP, PLTP, MTTP ALDH1A1 2114/4885MAPT 2273/4885KMT2A 4286/4885

“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.