SCHEMBL4274309

SCHEMBL4274309

CCC(=O)NC1=CC(C)(C)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ATM Q13315 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
CCR6 P51684 1/20 0.35
MCL1 Q07820 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
RAB9A P51151 4/20 0.33
GAA P10253 3/20 0.33
CYP1A2 P05177 2/20 0.33
CASP3 P42574 1/20 0.33
POLB P06746 4/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
CYP3A4 P08684 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4273237 0.88 TP53 (0.39) ALDH1A1MAPTNPSR1KDM4ELMNA
SCHEMBL4276860 0.81 POLB (0.33) ALDH1A1MAPTPKMGAAPOLB
SCHEMBL4267462 0.76 MAPT (0.31) MAPT
SCHEMBL4274418 0.73 GAA (0.40) LMNAMAPK1GAASMN1; SMN2HTT
SCHEMBL4273352 0.73
SCHEMBL4269187 0.72 MAPT (0.37) ALDH1A1MAPTNPSR1KDM4EATM
SCHEMBL4264769 0.69
SCHEMBL4276550 0.68 HIF1A (0.33) ALDH1A1CYP1A2KMT2ASMN1; SMN2CYP2C19
SCHEMBL901117 0.66 CYP19A1 (0.32)
SCHEMBL22606095 0.65 ESR1 (0.32) CYP3A4TSHR

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 ALDH1A1 1104/4885MAPT 4875/4885NPSR1 1050/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 ALDH1A1 2177/4885MAPT 2607/4885NPSR1 2638/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 ALDH1A1 595/4885MAPT 4860/4885NPSR1 1168/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 ALDH1A1 1294/4885MAPT 4865/4885NPSR1 1470/4885

“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.