SCHEMBL4270189

SCHEMBL4270189

C=C1C(=O)C=CC(C)(C)C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
KDM1A O60341 4/20 0.32
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL4271288 0.78 PTGS2 (0.37) PTGS2NPC1MITFMAPTHTT
SCHEMBL4274482 0.76 DDB1 (0.38) PTGS2NPC1MAPTHTTRAB9A
SCHEMBL4273486 0.76 ALDH1A1 (0.38) PTGS2MAPTHTTKMT2A
SCHEMBL4265998 0.76 NPC1 (0.40) PTGS2NPC1MAPTKMT2A
SCHEMBL4273465 0.75 IDO1 (0.38) PTGS2KDM1ANPC1MAPTHTT
SCHEMBL4264680 0.73 MAPT (0.42) PTGS2NPC1MAPTHTTRAB9A
SCHEMBL4268789 0.72 BCHE (0.37) MAOAMAOBRAB9A
SCHEMBL4269179 0.72 TLR9 (0.39) PTGS2MAOBMAPTKMT2A
SCHEMBL4264743 0.71 PTGS2 (0.35) PTGS2NPC1MITFMAPTHTT
SCHEMBL4279113 0.70 PTGS2 (0.36) PTGS2NPC1MITFMAPTHTT

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 PTGS2 75/4885KDM1A 2721/4885MAOA 1619/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 PTGS2 2320/4885KDM1A 2201/4885MAOA 694/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 PTGS2 32/4885KDM1A 2406/4885MAOA 1180/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 PTGS2 58/4885KDM1A 2868/4885MAOA 2074/4885

“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.