SCHEMBL4725792

SCHEMBL4725792

COC1=C(OC)C(=O)C(Cl)=C(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 7/20 0.44
IDO1 P14902 3/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
CDC25A P30304 2/20 0.41
CDC25B P30305 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
S1PR4 O95977 1/20 0.41
HSP90AA1 P07900 1/20 0.41
G6PD P11413 1/20 0.41
S1PR1 P21453 1/20 0.41
OPRK1 P41145 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
MCL1 Q07820 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TLR9 Q9NR96 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
Aurantiogliocladin SCHEMBL487583 0.81 MAPT (0.50) APEX1IDO1MAPTKDM4ERAB9A
SCHEMBL9061250 0.80 MAPT (0.52) APEX1IDO1MAPTKDM4ERAB9A
SCHEMBL4908282 0.78 MAPT (0.48) APEX1IDO1MAPTKDM4ERAB9A
SCHEMBL9655485 0.75 CDC25A (0.64) APEX1IDO1MAPTKDM4ERAB9A
SCHEMBL1392670 0.74 CES1 (0.47) IDO1MAPTKDM4ERAB9ACDC25B
SCHEMBL1717135 0.74 MAPT (0.50) APEX1IDO1MAPTKDM4ERAB9A
SCHEMBL28802564 0.73 MAPT (0.48) APEX1IDO1MAPTKDM4ERAB9A
SCHEMBL13453022 0.72 CES2 (0.53) IDO1MAPTKDM4EMAPK1TDP1
SCHEMBL3420496 0.71 MAPT (0.58) APEX1IDO1MAPTKDM4ERAB9A
SCHEMBL12592463 0.70 CDC25A (0.58) APEX1IDO1MAPTKDM4ERAB9A

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
US-20080086013-A1 CARBOMETALLATION OF ALKYNES AND IMPROVED SYNTHESIS OF UNIQUINONES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-10 US disclosed
WO-2008019196-A2 CARBOMETALLATION OF ALKYNES AND IMPROVED SYNTHSIS OF UBIQUINONES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-14 WO disclosed
US-20080039642-A1 Practical, Cost-Effective Synthesis of Chloromethylated 1, 4-Benzoquinones ZYMES, LLC 2008-02-14 US disclosed
WO-2006032425-A2 A PRACTICAL, COST-EFFECTIVE SYNTHESIS OF CHLOROMETHYLATED 1,4-BENZOQUINONES ZYMES, LLC (US) 2006-03-30 WO disclosed
US-5254590-A Enzyme inhibitors, anticholesterol, treatment of atheroscherosis, dylipidemias ADIR ET COMPAGNIE (FR) 1993-10-19 US disclosed
EP-0508842-A1 Aminoacylphenol derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-10-14 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-20080086013-A1 CARBOMETALLATION OF ALKYNES AND IMPROVED SYNTHESIS OF UNIQUINONES NDUFA10, NDUFB10, NDUFV1 APEX1 338/4885IDO1 937/4885MAPT 3856/4885
US-20080039642-A1 Practical, Cost-Effective Synthesis of Chloromethylated 1, 4-Benzoquinones NDUFA10, NDUFB10, NDUFA5 APEX1 1496/4885IDO1 1761/4885MAPT 4493/4885

“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.