SCHEMBL85928

SCHEMBL85928

C=CC(=O)Oc1ccc2c(c1)C(=O)CC(C)(C)S2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.37
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 6/20 0.34
GAA P10253 5/20 0.34
HPGD P15428 3/20 0.34
GLA P06280 3/20 0.34
CASP1 P29466 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP7 P55210 1/20 0.34
LMNA P02545 1/20 0.34
RYR2 Q92736 2/20 0.33
KLK7 P49862 1/20 0.33
NFKB1 P19838 5/20 0.32
NFKB2 Q00653 5/20 0.32
RELA Q04206 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 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
SCHEMBL86972 0.90 KDM4E (0.39) THRBKDM4EALDH1A1GAAHPGD
SCHEMBL87292 0.82 ACHE (0.40) THRBKDM4EALDH1A1GAAHPGD
SCHEMBL1140756 0.81 ALDH1A1 (0.47) KDM4EALDH1A1LMNARYR2KLK7
SCHEMBL87106 0.77 THRB (0.38) THRBKDM4EALDH1A1LMNARYR2
SCHEMBL13339009 0.75 VHL (0.50) THRBKDM4EALDH1A1GAAHPGD
SCHEMBL10382360 0.72 HTT (0.42) ALDH1A1LMNASMN1; SMN2
SCHEMBL68066 0.70 VHL (0.50) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4255191 0.70 TDP2 (0.36) KDM4EALDH1A1GAAHPGDLMNA
SCHEMBL12471284 0.70 MEN1 (0.47) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL12470715 0.69 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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 3546/4885KDM4E 679/4885ALDH1A1 440/4885

“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.