SCHEMBL7027951

SCHEMBL7027951

CC(C)C(=O)c1coc(C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
PDE5A O76074 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MIF P14174 1/20 0.34
TSHR P16473 1/20 0.34
PDE4A P27815 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL5512580 0.82 HDAC1 (0.41) HDAC1HDAC8HDAC6GSK3BDYRK1A
SCHEMBL19564470 0.82 HDAC1 (0.38) HDAC1HDAC8HDAC6GSK3BDYRK1A
SCHEMBL7324378 0.81 DAGLA (0.40) HDAC1HDAC8HDAC6GSK3BDYRK1A
SCHEMBL18179383 0.81 ALDH1A1 (0.46) HDAC1HDAC8HDAC6GSK3BDYRK1A
SCHEMBL23193214 0.80 HDAC1 (0.44) HDAC1HDAC8HDAC6GSK3BDYRK1A
SCHEMBL14845019 0.80 HDAC1 (0.44) HDAC1HDAC8HDAC6GSK3BDYRK1A
SCHEMBL14587960 0.78 ITGAV (0.39) HDAC1HDAC8HDAC6GSK3BDYRK1A
SCHEMBL3436851 0.75 RAB9A (0.43) HDAC1HDAC8HDAC6GSK3BDYRK1A
SCHEMBL9257744 0.75 NPC1 (0.50) HDAC1HDAC8HDAC6GSK3BDYRK1A
SCHEMBL21376435 0.74 HDAC1 (0.32) HDAC1HDAC8HDAC6GSK3BDYRK1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575094-B2 Use of type-B lantibiotic-based compounds having antimicrobial activity NOVACTA BIOSYSTEMS LIMITED (GB) 2013-11-05 US disclosed
US-8575094-B2 Use of type-B lantibiotic-based compounds having antimicrobial activity NOVACTA BIOSYSTEMS LIMITED (GB) 2013-11-05 US disclosed
US-8329644-B2 Lantibiotic-based compounds having antimicrobial activity NOVACTA BIOSYSTEMS LIMITED (GB) 2012-12-11 US disclosed
US-8329644-B2 Lantibiotic-based compounds having antimicrobial activity NOVACTA BIOSYSTEMS LIMITED (GB) 2012-12-11 US disclosed
US-8183202-B2 2012-05-22 US disclosed
US-8183202-B2 2012-05-22 US disclosed
US-20100261638-A1 LANTIBIOTIC-BASED COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY NOVACTA BIOSYSTEMS LIMITED (GB) 2010-10-14 US disclosed
US-20100261638-A1 LANTIBIOTIC-BASED COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY NOVACTA BIOSYSTEMS LIMITED (GB) 2010-10-14 US disclosed
US-20090203583-A1 Use of Type-B Lantibiotic-Based Compounds having Antimicrobial Activity NOVACTA BIOSYSTEMS LIMITED (GB) 2009-08-13 US disclosed
US-20090203583-A1 Use of Type-B Lantibiotic-Based Compounds having Antimicrobial Activity NOVACTA BIOSYSTEMS LIMITED (GB) 2009-08-13 US 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 (2 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-20100261638-A1 LANTIBIOTIC-BASED COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY GPR6, GALR3, NTSR1 HDAC1 4697/4885HDAC8 4192/4885HDAC6 4442/4885
US-20090203583-A1 Use of Type-B Lantibiotic-Based Compounds having Antimicrobial Activity MTPN, NISCH, VIP HDAC1 4788/4885HDAC8 3927/4885HDAC6 3140/4885

“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.