SCHEMBL7673402

SCHEMBL7673402

CCOC(C)OCC.[SeH]c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 1/20 0.32
TP53 P04637 1/20 0.32
PIN1 Q13526 1/20 0.32
POLB P06746 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
TAAR1 Q96RJ0 4/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 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
Biphenyl SCHEMBL3862996 0.82 LMNA (0.57) LMNAL3MBTL1SIGMAR1NPC1
Tannin Pyrogallol SCHEMBL22288201 0.80 LMNA (0.55) LMNAL3MBTL1TAAR1NPC1
Biphenyl SCHEMBL8087383 0.80 LMNA (0.55) LMNAL3MBTL1SIGMAR1NPC1
Bromobenzene SCHEMBL2045059 0.78 LMNA (0.52) LMNAL3MBTL1LTA4HSIGMAR1SLC6A2
Benzenethiol SCHEMBL4312885 0.78 LMNA (0.52) LMNAL3MBTL1LTA4HMAOATP53
Chlorobenzene SCHEMBL108740 0.78 LMNA (0.52) LMNAL3MBTL1SLC6A2SLC6A4SLC6A3
Phenol SCHEMBL3315051 0.78 LMNA (0.52) LMNAL3MBTL1LTA4HPIN1POLB
SCHEMBL449609 0.78 LMNA (0.52) LMNAL3MBTL1MAOAMAOBTP53
O-Xylene SCHEMBL28066372 0.77 LMNA (0.57) LMNAL3MBTL1MAOAMAOBSLC6A4
Biphenyl SCHEMBL10925385 0.77 LMNA (0.50) LMNAL3MBTL1SIGMAR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399786-B1 ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. 2002-06-04 US disclosed
US-20020045598-A1 Nonacyclic nodulisporic acid derivatives MERCK SHARP & DOHME CORP. 2002-04-18 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-20020045598-A1 Nonacyclic nodulisporic acid derivatives CYP51A1, NOD1, FDPS LMNA 4308/4885L3MBTL1 4617/4885LTA4H 1257/4885

“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.