SCHEMBL4273465

SCHEMBL4273465

C=C1C(=O)C=CC(C)(C)C1c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPK1 P28482 3/20 0.38
ALOX12 P18054 2/20 0.38
BLM P54132 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP2 O95551 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38
GALK1 P51570 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.36
MTNR1A P48039 2/20 0.35

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
SCHEMBL7775994 0.76 KDM1A (0.38) IDO1ALDH1A1MAPTHPGDNPSR1
SCHEMBL4270189 0.75 PTGS2 (0.35) MAPTHTTKDM1AKMT2APTGS2
SCHEMBL4268789 0.71 BCHE (0.37) ALDH1A1HPGDKDM4EHSD17B10SLC6A4
SCHEMBL4277009 0.70 MTNR1A (0.46) IDO1ALDH1A1MAPTHPGDNPSR1
SCHEMBL4274482 0.70 DDB1 (0.38) ALDH1A1MAPTKDM4EHTTHSD11B1
SCHEMBL4273486 0.69 ALDH1A1 (0.38) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL4265998 0.69 NPC1 (0.40) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL4271288 0.68 PTGS2 (0.37) MAPTHTTKMT2APTGS2NPC1
SCHEMBL4269524 0.65 IDO1 (0.50) IDO1ALDH1A1MAPTHPGDNPSR1
SCHEMBL4264743 0.65 PTGS2 (0.35) MAPTHTTKMT2APTGS2NPC1

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 IDO1 318/4885ALDH1A1 1104/4885MAPT 4875/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 IDO1 3624/4885ALDH1A1 2177/4885MAPT 2607/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 IDO1 128/4885ALDH1A1 595/4885MAPT 4860/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 IDO1 461/4885ALDH1A1 1294/4885MAPT 4865/4885

“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.