SCHEMBL4264992

SCHEMBL4264992

C=C1CC(C)(C)C=C(c2cccnc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.40
CYP2A6 P11509 5/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
APP P05067 1/20 0.36
CYP17A1 P05093 1/20 0.36
CRBN Q96SW2 1/20 0.36
BACE1 P56817 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL4264794 0.82 NPC1 (0.39) ALDH1A1BACE1PTGS1PTGS2LMNA
SCHEMBL4265742 0.74 ALPL (0.44) ALPLCYP2A6CYP3A4CYP1A2ALDH1A1
SCHEMBL4272325 0.71 GSTP1 (0.40) CYP3A4CYP1A2ALDH1A1MAPTHSD17B10
SCHEMBL4277361 0.71 PTGS2 (0.32) CYP2A6PTGS1PTGS2
SCHEMBL4264747 0.70 TOP1 (0.31) CYP17A1
SCHEMBL4264734 0.68 ALDH1A1 (0.36) ALPLALDH1A1GABRA1GABRG2GABRB3
SCHEMBL4264716 0.68 ALDH1A1 (0.35) ALDH1A1MAPTKMT2AHSD17B10TSHR
SCHEMBL4273167 0.67 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4274893 0.66 FFAR1 (0.37) ALDH1A1MAPTCRBNBACE1SMN1; SMN2
SCHEMBL7832946 0.64 CYP2A6 (0.44) ALPLCYP2A6CYP3A4CYP1A2ALDH1A1

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 ALPL 4681/4885CYP2A6 642/4885CYP3A4 2655/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 ALPL 1637/4885CYP2A6 2610/4885CYP3A4 3592/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 ALPL 4557/4885CYP2A6 476/4885CYP3A4 1990/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 ALPL 4673/4885CYP2A6 463/4885CYP3A4 2432/4885

“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.