SCHEMBL87106

SCHEMBL87106

C=CC(=O)Oc1ccc2c(c1)C(=O)CS2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
RYR2 Q92736 2/20 0.34
VHL P40337 1/20 0.33
ELOC Q15369 1/20 0.33
ELOB Q15370 1/20 0.33
TYMS P04818 1/20 0.32
GRM5 P41594 1/20 0.31
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL13339009 0.86 VHL (0.50) THRBRYR2VHLELOCELOB
SCHEMBL85928 0.77 THRB (0.37) THRBRYR2KDM4EALDH1A1LMNA
SCHEMBL5858409 0.73 MAPT (0.50) KDM4EALDH1A1LMNA
SCHEMBL12216209 0.71 GRM5 (0.51) TYMSGRM5MAOAMAOBALDH1A1
SCHEMBL819722 0.71 THRB (0.53) THRBHTTKDM4EALDH1A1LMNA
SCHEMBL12216194 0.71 MAPT (0.49) THRBTYMSGRM5KDM4EMAOA
SCHEMBL10514831 0.69 BCHE (0.46) THRBKDM4EALDH1A1
SCHEMBL2814971 0.69 TTR (0.46) THRBTYMSMAOAALDH1A1
SCHEMBL17481246 0.69 TYMS (0.46) THRBTYMSKDM4EMAOAMAOB
SCHEMBL2587522 0.69 THRB (0.64) THRBTYMSHTTKDM4EALDH1A1

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 7 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
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 THRB 3546/4885RYR2 1895/4885VHL 3930/4885

“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.