SCHEMBL65679

SCHEMBL65679

O=C1CSc2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
MIF P14174 1/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOTUM Q6P988 1/20 0.40
S100A4 P26447 3/20 0.39
MAOA P21397 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
BCHE P06276 2/20 0.39
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.39
APAF1 O14727 1/20 0.39
TERT O14746 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL29698819 0.91 HPGD (0.48) MAOBMIFACHEKDM4EHPGD
SCHEMBL69404 0.91 HPGD (0.48) MAOBMIFACHEKDM4EHPGD
Methane SCHEMBL1586454 0.89 HPGD (0.47) MAOBMIFACHEKDM4EHPGD
SCHEMBL13190451 0.77 ACHE (0.61) MAOBACHEKDM4EHPGDALDH1A1
SCHEMBL216973 0.73 ACHE (0.56) ACHEKDM4EHPGDALDH1A1MEN1
SCHEMBL86279 0.71 ACHE (0.59) MAOBMIFACHEKDM4EHPGD
SCHEMBL31123671 0.71 ACHE (0.59) MAOBMIFACHEKDM4EHPGD
SCHEMBL87112 0.71 ALDH1A1 (0.41) ACHEKDM4EHPGDALDH1A1MEN1
SCHEMBL31510701 0.71 ACHE (0.59) MAOBMIFACHEKDM4EHPGD
SCHEMBL10159120 0.70 ALDH1A1 (0.41) MAOBMIFHPGDALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053095-B2 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2017-02-22 EP disclosed
EP-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
EP-2053095-A2 Ink composition and inkjet recording method using the same Fujifilm Corporation (JP) 2009-04-29 EP disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
EP-0463636-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1992-01-02 EP disclosed
EP-0166257-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1986-01-02 EP disclosed
US-4558037-A A DIBENZOTHIEPIN COMPOUND AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR MERCK & CO., INC. (US) 1985-12-10 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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 MAOB 202/4885MIF 1125/4885ACHE 911/4885

“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.