SCHEMBL6401663

SCHEMBL6401663

CCOC(=O)CC(C)(C)C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.57
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
PPID Q08752 1/20 0.44
PRSS1 P07477 1/20 0.43
CTSG P08311 1/20 0.43
CTRB1 P17538 1/20 0.43
CMA1 P23946 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
PIN1 Q13526 1/20 0.41
SRC P12931 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
SCHEMBL14319712 0.88 HSD11B1 (0.50) HSD11B1MEN1KMT2ANPC1ALDH1A1
SCHEMBL3611806 0.85 ESR1 (0.54) HSD11B1KMT2ANPC1ALDH1A1MAPT
SCHEMBL20138852 0.84 KMT2A (0.49) HSD11B1NPSR1MEN1KMT2ANPC1
SCHEMBL3615238 0.84 MAOB (0.55) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL5963645 0.83 HSD11B1 (0.47) HSD11B1POLBNPSR1MEN1KMT2A
SCHEMBL5183124 0.83 SRC (0.51) HSD11B1POLBMEN1KMT2ANPC1
SCHEMBL6154598 0.82 HSD11B1 (0.44) HSD11B1POLBNPC1ALDH1A1PPID
SCHEMBL9437333 0.79 MEN1 (0.51) POLBNPSR1MEN1KMT2ANPC1
SCHEMBL6400748 0.78 CYP2C19 (0.53) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL3610735 0.77 POLB (0.46) HSD11B1POLBMEN1KMT2ANPC1

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-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

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 HSD11B1 3509/4885POLB 368/4885NPSR1 3627/4885
US-20070004735-A1 Method for inhibiting the replication of herpes viruses RPL35, PCNA, MCM5 HSD11B1 2876/4885POLB 45/4885NPSR1 3709/4885

“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.