SCHEMBL68600

SCHEMBL68600

CC(=O)N1CC(=O)c2ccc(Br)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.60
HSD17B3 P37058 5/20 0.48
CASP2 P42575 1/20 0.43
CUL4A Q13619 1/20 0.40
LMNA P02545 1/20 0.38
S100A4 P26447 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
CES1 P23141 1/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KCNN4 O15554 1/20 0.35
KCNA3 P22001 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5712043 0.87 NOTUM (0.60) NOTUMHSD17B3CASP2CUL4AS100A4
SCHEMBL31394419 0.87 NOTUM (0.60) NOTUMHSD17B3CASP2CUL4AS100A4
SCHEMBL569327 0.80 NOTUM (0.60) NOTUMHSD17B3LMNACA1CA2
SCHEMBL28984695 0.80 NOTUM (0.60) NOTUMHSD17B3MAPTKCNN4KCNA3
SCHEMBL2005572 0.78 NOTUM (0.57) NOTUMHSD17B3LMNAALDH1A1MAPT
SCHEMBL1048074 0.75 NOTUM (1.00) NOTUMHSD17B3LMNAALDH1A1CES1
SCHEMBL30003296 0.75 NOTUM (1.00) NOTUMHSD17B3LMNAALDH1A1CES1
SCHEMBL6218301 0.75 NOTUM (0.54) NOTUMHSD17B3LMNAALDH1A1MAPT
SCHEMBL29187748 0.75 NOTUM (0.54) NOTUMLMNAS100A4ALDH1A1MAPT
SCHEMBL28798816 0.74 LMNA (0.45) HSD17B3CASP2LMNAS100A4ALDH1A1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108341814-B JAK kinase inhibitors and uses thereof 上海翔锦生物科技有限公司 2021-09-03 CN disclosed
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
EP-2682272-B1 INK JET RECORDING METHOD AND PRINTED MATERIAL FUJIFILM CORP (JP) 2015-08-26 EP disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-8168263-B2 Photo-curable composition, ink composition, and inkjet recording method using the ink composition FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed
US-8168263-B2 Photo-curable composition, ink composition, and inkjet recording method using the ink composition FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed
US-8147921-B2 Ink set for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-8147921-B2 Ink set for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
EP-2042573-A1 Ink composition FUJIFILM Corporation (JP) 2009-04-01 EP disclosed
EP-2042563-A1 Photocurable coating composition, and overprint and process for producing same FUJIFILM Corporation (JP) 2009-04-01 EP disclosed
US-20090081421-A1 PHOTOCURABLE COATING COMPOSITION, AND OVERPRINT AND PROCESS FOR PRODUCING SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20090081421-A1 PHOTOCURABLE COATING COMPOSITION, AND OVERPRINT AND PROCESS FOR PRODUCING SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20080239045-A1 INK SET FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-20080239045-A1 INK SET FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
EP-1975210-A1 Ink set for inkjet recording and inkjet recording method FUJIFILM Corporation (JP) 2008-10-01 EP disclosed
US-20080182031-A1 Sensitizing dye, an alpha-aminoketone or acyl phosphine oxide polymerization initiator and an ethylenically unsaturated bond-containing polymerizable compound FUJIFILM CORPORATION (JP) 2008-07-31 US disclosed
US-20080182031-A1 Sensitizing dye, an alpha-aminoketone or acyl phosphine oxide polymerization initiator and an ethylenically unsaturated bond-containing polymerizable compound FUJIFILM CORPORATION (JP) 2008-07-31 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 NOTUM 3865/4885HSD17B3 1694/4885CASP2 3671/4885

“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.