SCHEMBL3596646

SCHEMBL3596646

CCOC(=O)c1coc(-c2cn(CC(C)C)c3ccc(Cl)cc23)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GABRA2 P47869 11/20 0.39
GABRB2 P47870 11/20 0.39
MAOB P27338 1/20 0.39
PTGER1 P34995 1/20 0.38
ELANE P08246 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4350902 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDALOX15TSHR
SCHEMBL4037595 0.90 ICMT (0.39) KDM4EHPGDGABRA2GABRB2ELANE
SCHEMBL3594920 0.87 PTGER1 (0.41) PTGER1
SCHEMBL3595139 0.87 PTGER1 (0.41) PTGER1KMT2A
SCHEMBL4357086 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDALOX15TSHR
SCHEMBL3592829 0.86 ICMT (0.41) ALDH1A1KDM4EPTGER1
SCHEMBL4357082 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDALOX15TSHR
SCHEMBL3588519 0.85 CNR1 (0.44) ALDH1A1KDM4EHPGDALOX15TSHR
SCHEMBL4357149 0.83 CNR1 (0.47) ALDH1A1KDM4EHPGDALOX15TSHR
SCHEMBL4037638 0.83 RAB9A (0.44) ALDH1A1KDM4EHPGDALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
EP-2041127-A2 INDOLE COMPOUNDS Glaxo Group Limited (GB) 2009-04-01 EP disclosed
EP-2041126-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-01-17 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 (2 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-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor PTGER1, PTGER2, PTGER3 ALDH1A1 608/4885KDM4E 2597/4885HPGD 517/4885
US-20100004240-A1 Indole Compounds IDO1, TPH1, IDO2 ALDH1A1 515/4885KDM4E 1622/4885HPGD 1412/4885

“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.