SCHEMBL4273572

SCHEMBL4273572

C=C1CC(C)(C)C=C(CCN2CCNCC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
KCNJ1 P48048 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
LMNA P02545 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
SLC6A4 P31645 3/20 0.34
HTR4 Q13639 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 1/20 0.33
CNR2 P34972 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NMT1 P30419 1/20 0.30
CCNE2 O96020 1/20 0.30

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
SCHEMBL4271504 0.76 ALPL (0.30)
SCHEMBL4274445 0.74 KCNH2 (0.40) KCNH2KCNJ1ALDH1A1MAPTPDE4A
SCHEMBL4272283 0.74
SCHEMBL4275694 0.74 ALDH1A1 (0.42) ALDH1A1LMNASIGMAR1
SCHEMBL4276398 0.72 HSD17B10 (0.30)
SCHEMBL4272313 0.71 KCNH2 (0.38) KCNH2KCNJ1ALDH1A1MAPTPDE4A
SCHEMBL4274342 0.70 MAPK1 (0.36) KCNJ1ALDH1A1MAPTLMNACNR2
SCHEMBL4270159 0.69
SCHEMBL4281065 0.68
SCHEMBL4266642 0.68

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 KCNH2 3031/4885KCNJ1 3615/4885ALDH1A1 1104/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 KCNH2 4119/4885KCNJ1 3916/4885ALDH1A1 2177/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 KCNH2 2913/4885KCNJ1 3198/4885ALDH1A1 595/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 KCNH2 2904/4885KCNJ1 3568/4885ALDH1A1 1294/4885

“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.