SCHEMBL86972

SCHEMBL86972

C=CC(=O)Oc1ccc2c(c1)SC(C)(C)CC2=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
HTT P42858 1/20 0.38
THRB P10828 2/20 0.37
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NFKB1 P19838 4/20 0.32
NFKB2 Q00653 4/20 0.32
RELA Q04206 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE4B Q07343 1/20 0.31
RYR2 Q92736 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
SCHEMBL85928 0.90 THRB (0.37) KDM4EALDH1A1THRBLMNASMN1; SMN2
SCHEMBL31260278 0.81 ALDH1A1 (0.57) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL1987343 0.81 ALDH1A1 (0.57) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL31260280 0.81 ALDH1A1 (0.57) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL87292 0.72 ACHE (0.40) KDM4EALDH1A1HTTTHRBLMNA
SCHEMBL2125101 0.70 THRB (0.45) KDM4ETHRBNFKB1NFKB2RELA
SCHEMBL15497458 0.70 KDM4E (0.35) KDM4EALDH1A1HTTLMNAHPGD
SCHEMBL1140756 0.69 ALDH1A1 (0.47) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL87106 0.69 THRB (0.38) KDM4EALDH1A1HTTTHRBLMNA
SCHEMBL11225929 0.67 THRB (0.47) KDM4EALDH1A1THRBSMN1; SMN2MEN1

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 KDM4E 679/4885ALDH1A1 440/4885HTT 3488/4885

“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.