SCHEMBL4277359

SCHEMBL4277359

C=C1CC(C)(C)C(c2cccs2)=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALPL P05186 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
PBRM1 Q86U86 1/20 0.32
HTT P42858 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
LTK P29376 1/20 0.31
CDK5 Q00535 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
SCHEMBL4274402 0.74 NPC1 (0.42) ALDH1A1HPGDALOX5PTGS1LMNA
SCHEMBL4265395 0.72 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10KDM4EALPL
SCHEMBL4270412 0.72 GABRA1 (0.36)
SCHEMBL4271550 0.70 MAPK1 (0.36) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL4269522 0.69 CYP19A1 (0.36) ALDH1A1HPGDKDM4E
SCHEMBL4272319 0.68 PTPN1 (0.41) ALDH1A1HPGDKDM4EALPLMAPT
SCHEMBL4264734 0.67 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10KDM4EALPL
SCHEMBL4270146 0.66 NPC1 (0.38) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL4269171 0.66 CHRM1 (0.31)
SCHEMBL4267445 0.63 NISCH (0.33) ALDH1A1KDM4E

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 1104/4885HPGD 425/4885HSD17B10 4397/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 ALDH1A1 2177/4885HPGD 4308/4885HSD17B10 3175/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 ALDH1A1 595/4885HPGD 467/4885HSD17B10 4101/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 ALDH1A1 1294/4885HPGD 435/4885HSD17B10 4345/4885

“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.