SCHEMBL6399385

SCHEMBL6399385

COC(=O)CC(C)(C)C(=O)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX15 P16050 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
MAPT P10636 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PLK1 P53350 1/20 0.47
RAB9A P51151 4/20 0.46
GSK3B P49841 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL10699043 0.85 CA1 (0.48) MAPK1HSD17B10ALDH1A1LMNARECQL
SCHEMBL14600392 0.85 CA1 (0.53) MAPK1HSD17B10ALOX15ALDH1A1LMNA
SCHEMBL6400649 0.83 POLB (0.44) MAPK1ALDH1A1LMNATDP1MAPT
SCHEMBL6153059 0.83 KMT2A (0.48) MAPK1ALDH1A1LMNACA1CA2
SCHEMBL5183124 0.83 SRC (0.51) MAPK1HSD17B10ALOX15ALDH1A1TDP1
SCHEMBL14632299 0.82 EPHX2 (0.44) ALDH1A1LMNACA1CA2MAPT
SCHEMBL6613084 0.81 CES2 (0.53) MAPK1HSD17B10ALOX15ALDH1A1LMNA
SCHEMBL10696877 0.81 PLK1 (0.45) MAPK1ALOX15ALDH1A1LMNAMAPT
SCHEMBL6804828 0.80 MAOB (0.57) ALDH1A1MAPTRAB9AHDAC3HDAC1
SCHEMBL757101 0.76 CES2 (0.61) MAPK1HSD17B10ALOX15ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 US disclosed
EP-1404657-A1 PYRIDAZINONE Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003002541-A1 PYRIDAZINONE BAYER HEALTHCARE AG (DE) 2003-01-09 WO disclosed
EP-0252639-A1 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1988-01-13 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 (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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK MAPK1 1601/4885HSD17B10 3395/4885ALOX15 3032/4885
US-20070004735-A1 Method for inhibiting the replication of herpes viruses RPL35, PCNA, MCM5 MAPK1 2447/4885HSD17B10 3428/4885ALOX15 4172/4885

“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.