SCHEMBL4265877

SCHEMBL4265877

C=C1C(=O)C=CC(C)(C)C1CN1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 1/20 0.33
GAA P10253 3/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
HTT P42858 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4265455 0.75 PTGS2 (0.35) PTGS2KMT2ATSHRGAAMAPT
SCHEMBL27508705 0.72 KMT2A (0.31) KMT2AMAPK1ALDH1A1CYP3A4
SCHEMBL4271643 0.72 PTGS2 (0.34) PTGS2KMT2AMAPTRAB9ANPC1
SCHEMBL4265495 0.71 TSHR (0.35) KMT2ATSHRGAAMAPK1MAPT
SCHEMBL4270367 0.71 NPC1 (0.34) PTGS2KMT2AMAPTRAB9ANPC1
SCHEMBL4265603 0.68 PTGS2 (0.32) PTGS2KMT2AMAPTRAB9ANPC1
SCHEMBL4265945 0.68 PTGS2 (0.32) PTGS2KMT2AMAPTRAB9ANPC1
SCHEMBL4264800 0.68 PTGS2 (0.32) PTGS2KMT2AMAPTRAB9ANPC1
SCHEMBL4267453 0.68 PTGS2 (0.32) PTGS2KMT2AMAPTRAB9ANPC1
SCHEMBL4265872 0.66 SLC6A2 (0.34) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605183-B2 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2009-10-20 US disclosed
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions KOYAMA SHOZO 2008-08-21 US disclosed
US-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2007-03-22 US disclosed
EP-0780122-B1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE KOYAMA SHOZO (JP) 2006-11-22 EP disclosed
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2004-11-11 US disclosed
US-6710090-B2 A CYCLOHEX-1-EN-2-ONE COMPOUND KOYAMA SHOZO (JP) 2004-03-23 US disclosed
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2002-11-07 US disclosed
US-6346551-B1 ANTIBACTERIAL, ANTIFUNGAL, ANTIVIRAL, BACTERICIDAL AND/OR STERILIZATION AGENTS, ANTICANCER DRUGS, BLOOD COAGULATION AND FIBRINOLYSIS INHIBITORS AND/OR BLOCKING AGENTS, INHIBITORY AND/OR BLOCKING AGENTS OF ANTIGEN-ANTIBODY REACTIONS KOYAMA SHOZO (JP) 2002-02-12 US disclosed
EP-0780122-A1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE Koyama, Shozo (JP) 1997-06-25 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 (4 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-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, SERPINB6, CD74 PTGS2 75/4885KMT2A 4262/4885TSHR 940/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 PTGS2 2320/4885KMT2A 3045/4885TSHR 1025/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 PTGS2 32/4885KMT2A 4174/4885TSHR 1927/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 PTGS2 58/4885KMT2A 4321/4885TSHR 1059/4885

“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.