SCHEMBL87091

SCHEMBL87091

C=CN1Cc2ccc(Cl)cc2C(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.41
METAP1 P53582 1/20 0.40
CES1 P23141 3/20 0.37
CES2 O00748 1/20 0.37
BCHE P06276 1/20 0.37
KCNA3 P22001 3/20 0.36
KCNN4 O15554 2/20 0.36
ALDH1A1 P00352 3/20 0.35
ALDH2 P05091 3/20 0.35
ALDH3A1 P30838 3/20 0.35
PTPN1 P18031 1/20 0.34
HSD17B3 P37058 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 1/20 0.33
F7 P08709 1/20 0.33
PARP1 P09874 1/20 0.33
F3 P13726 1/20 0.33
PARP10 Q53GL7 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL85938 0.80 HSD17B3 (0.41) S100A4KCNA3KCNN4HSD17B3
SCHEMBL86309 0.79 S100A4 (0.44) S100A4CES1CES2BCHEKCNA3
SCHEMBL11085707 0.77 S100A4 (0.45) S100A4METAP1L3MBTL1DRD2
SCHEMBL91647 0.72 ALDH1A1 (0.42) S100A4CES1ALDH1A1ALDH2ALDH3A1
SCHEMBL6365816 0.71 NOTUM (0.49) CES1KCNA3KCNN4ALDH1A1MAPT
SCHEMBL6387824 0.70 L3MBTL1 (0.64) S100A4METAP1CES1ALDH1A1TDP1
SCHEMBL6899110 0.70 MAOA (0.67) S100A4METAP1CES1BCHEALDH1A1
SCHEMBL4405123 0.68 KMT2A (0.57) ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL11145884 0.67 MAOA (0.57) S100A4METAP1CES1BCHEALDH1A1
SCHEMBL16559383 0.67 F7 (0.58) S100A4METAP1CES1TDP1L3MBTL1

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 S100A4 1083/4885METAP1 4404/4885CES1 4279/4885

“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.