SCHEMBL4265403

SCHEMBL4265403

CC1(C)C=C(c2ccsc2)C(=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
CYP2A6 P11509 2/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2B6 P20813 1/20 0.32
KCNH2 Q12809 1/20 0.32
EEF2K O00418 2/20 0.31
PTGS2 P35354 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
PRKDC P78527 1/20 0.31
GSK3B P49841 1/20 0.31
PTPRC P08575 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
BUB1 O43683 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
SCHEMBL4273428 0.76 SIGMAR1 (0.38) KCNH2
SCHEMBL4277361 0.72 PTGS2 (0.32) LPLLIPGCYP2A6CYP2E1CYP2B6
SCHEMBL4270415 0.71 ALDH1A1 (0.41) LPLLIPG
SCHEMBL4269247 0.71 LPL (0.34) LPLLIPGEEF2K
SCHEMBL4276452 0.70 CYP17A1 (0.33)
SCHEMBL4265742 0.69 ALPL (0.44) CYP2A6PTGS2
SCHEMBL4269525 0.69 GSTP1 (0.42) LPLLIPGPTGS2
SCHEMBL317567 0.67 NCOA1 (0.47) KCNH2PRKDC
SCHEMBL4276909 0.67 GABRA1 (0.38) EEF2K
SCHEMBL4281138 0.66 DYRK1A (0.42) GSK3B

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 8 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
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 LPL 4430/4885LIPG 1453/4885CYP2A6 642/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 LPL 838/4885LIPG 226/4885CYP2A6 2610/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 LPL 4449/4885LIPG 1297/4885CYP2A6 476/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 LPL 4553/4885LIPG 1671/4885CYP2A6 463/4885

“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.