SCHEMBL336642

SCHEMBL336642

CC(=O)OCc1ccc(C)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
KDM4A O75164 1/20 0.43
KDM5A P29375 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
GALR3 O60755 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL14638200 0.86 GAA (0.44) ALDH1A1KDM4EHSD17B10GAAL3MBTL1
SCHEMBL11888397 0.84 GAA (0.64) GAAL3MBTL1HTTSMN1; SMN2KMT2A
SCHEMBL4316026 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10HTTSMN1; SMN2
SCHEMBL9687102 0.81 L3MBTL1 (0.61) ALDH1A1KDM4EHSD17B10GAAL3MBTL1
SCHEMBL27955323 0.80 MAPT (0.46) ALDH1A1HSD17B10GAAL3MBTL1HTT
SCHEMBL29332017 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10TP53L3MBTL1
SCHEMBL28773427 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10GAATP53
SCHEMBL29605428 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10GAATP53
SCHEMBL336664 0.79 CYP4F2 (0.49) ALDH1A1KDM4EHSD17B10GAAL3MBTL1
SCHEMBL1466758 0.79 KDM4E (0.54) ALDH1A1KDM4EHSD17B10GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751076-B1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2018-04-25 EP disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB ALDH1A1 612/4885KDM4E 4508/4885HSD17B10 565/4885

“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.