SCHEMBL87531

SCHEMBL87531

C=CC(=O)OCCOC(=O)c1ccc2sc3ccccc3c(=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
HCRTR1 O43613 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NOD2 Q9HC29 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
SCHEMBL11994250 0.88 CYP1A2 (0.36) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL2027368 0.84 CYP1A2 (0.35) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL9681191 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL31271888 0.84 THRB (0.54) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL11994245 0.84 THRB (0.54) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL10030950 0.83 THRB (0.45) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL5030843 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL12284025 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL12380014 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL11994252 0.82 THRB (0.35) ALDH1A1KDM4EMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 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 ALDH1A1 440/4885KDM4E 679/4885MAPT 2087/4885

“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.