SCHEMBL3689688

SCHEMBL3689688

COc1ccc2nccc(C#CC3CCC4(CC3)OCCO4)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
NCF1 P14598 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CES2 O00748 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ACVR1 Q04771 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAK O14976 1/20 0.35
RIPK2 O43353 1/20 0.35
COQ8A Q8NI60 1/20 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
SCHEMBL14539369 0.81 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EMAPK1NPSR1
SCHEMBL3688085 0.74 KCNH2 (0.57) MTNR1AMTNR1BKCNH2
SCHEMBL30337987 0.72 NCF1 (0.65) ALDH1A1LMNAKDM4EMAPK1NPSR1
SCHEMBL26841078 0.68 KDM4E (0.55) LMNAKDM4EMAPK1NPSR1NCF1
SCHEMBL31297311 0.68 KDM4E (0.55) LMNAKDM4EMAPK1NPSR1NCF1
SCHEMBL21878318 0.68 LMNA (0.51) LMNAKDM4EMAPK1NPSR1SLC22A12
SCHEMBL3687859 0.67 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EMAPK1NPSR1
SCHEMBL4273949 0.66 KDM4E (0.59) ALDH1A1LMNAKDM4ECES2KCNH2
SCHEMBL1147472 0.66 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EMAPK1NPSR1
SCHEMBL1147473 0.66 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 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 (1 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 ALDH1A1 2434/4885LMNA 4060/4885KDM4E 3555/4885

“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.