SCHEMBL4276895

SCHEMBL4276895

C=C1CC(C)(C)C=C(OCCCCCC)C1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
LMNA P02545 1/20 0.33
GPR84 Q9NQS5 2/20 0.33
MAPT P10636 1/20 0.32
PLA2G2A P14555 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NR5A1 Q13285 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTPN1 P18031 1/20 0.31
PLA2G4B P0C869 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL4276413 0.98 LMNA (0.34) MMP2MMP3MMP9LMNAGPR84
SCHEMBL4272289 0.71 CYP19A1 (0.36) MMP2MMP3MMP9LMNAGPR84
SCHEMBL4272402 0.71 MAPT (0.35) MMP2MMP3MMP9LMNAGPR84
SCHEMBL4274632 0.69 LMNA (0.34) MMP2MMP3MMP9LMNAGPR84
SCHEMBL27487195 0.67 LMNA (0.31) LMNA
SCHEMBL11058609 0.65 CA12 (0.35) MMP2MMP3MMP9LMNAMAPT
SCHEMBL155738 0.64 ALOX5 (0.45)
SCHEMBL11698807 0.64 ALOX5 (0.45)
SCHEMBL15115632 0.63 ACHE (0.41) GPR84PLA2G2ATP53TSHRNR5A1
SCHEMBL10980471 0.62 CA1 (0.38) LMNAMAPTTSHRPTPN1

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 MMP2 1740/4885MMP3 2425/4885MMP9 2870/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 MMP2 109/4885MMP3 334/4885MMP9 49/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 MMP2 1969/4885MMP3 2453/4885MMP9 2534/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 MMP2 1939/4885MMP3 2718/4885MMP9 3152/4885

“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.