SCHEMBL12418548

SCHEMBL12418548

CCCC#CC#CC(O)CC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.47
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
PTPN7 P35236 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
CACNA2D1 P54289 1/20 0.30
CACNB2 Q08289 1/20 0.30
CACNA1C Q13936 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
SCHEMBL31189050 0.84 HMGCR (0.62) HMGCRPTPN7ABCG2CACNA2D1CACNB2
SCHEMBL4530368 0.83
SCHEMBL15283726 0.83 TSHR (0.39) HMGCR
SCHEMBL7527243 0.81 HMGCR (0.42) HMGCRPTPN7ABCG2CACNA2D1CACNB2
SCHEMBL31189051 0.80 HMGCR (0.55) HMGCRPTPN7ABCG2CACNA2D1CACNB2
SCHEMBL28742961 0.78 HMGCR (0.52) HMGCRPTPN7ABCG2CACNA2D1CACNB2
SCHEMBL30040696 0.78 HMGCR (0.52) HMGCRPTPN7ABCG2CACNA2D1CACNB2
SCHEMBL30629423 0.76 HMGCR (0.54) HMGCRABCG2
SCHEMBL31189082 0.75 HMGCR (0.50) HMGCRABCG2CACNA2D1CACNB2CACNA1C
SCHEMBL9618476 0.74 HMGCR (0.34) HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9017425-B2 Textile colouration DATALASE LTD. (GB) 2015-04-28 US disclosed
US-9017425-B2 Textile colouration DATALASE LTD. (GB) 2015-04-28 US disclosed
EP-2316055-B1 POLYCHROMIC SUBSTANCES AND THEIR USE DATALASE LTD (GB) 2014-02-26 EP disclosed
US-8637114-B2 Laser imageable paper DATALASE LTD (GB) 2014-01-28 US disclosed
US-8637114-B2 Laser imageable paper DATALASE LTD (GB) 2014-01-28 US disclosed
US-8557510-B2 Colour forming composition DATALASE LTD. (GB) 2013-10-15 US disclosed
US-8557510-B2 Colour forming composition DATALASE LTD. (GB) 2013-10-15 US disclosed
US-8507178-B2 Polychromic substances and their use DATALASE, LTD (GB) 2013-08-13 US disclosed
US-8507178-B2 Polychromic substances and their use DATALASE, LTD (GB) 2013-08-13 US disclosed
US-8420282-B2 Filters DATALASE LTD (GB) 2013-04-16 US disclosed
US-8398760-B2 Energy activated compositions DATALASE LTD. (GB) 2013-03-19 US disclosed
US-20110167572-A1 Textile Colouration DATALASE LTD. (GB) 2011-07-14 US disclosed
US-20110171438-A1 Laser Imageable Paper DATALASE LTD. (GB) 2011-07-14 US disclosed
US-20110155815-A1 MULTI-COLOURED CODES DATALASE LTD. (GB) 2011-06-30 US disclosed
US-20110159268-A1 Energy Activated Compositions DATALASE LTD. (GB) 2011-06-30 US disclosed
US-20110151380-A1 DATA STORAGE MEDIUM DATALASE LTD. (GB) 2011-06-23 US disclosed
US-20110151384-A1 Colour Forming Composition DATALASE LTD. (GB) 2011-06-23 US disclosed
US-20110136934-A1 Polychromic Substances and Their Use DATALASE, LTD (GB) 2011-06-09 US disclosed
US-20110136934-A1 Polychromic Substances and Their Use DATALASE, LTD (GB) 2011-06-09 US disclosed
US-20110122347-A1 FILTERS DATALASE LTD (GB) 2011-05-26 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-20110136934-A1 Polychromic Substances and Their Use DDT, CD99, NR2E3 HMGCR 1415/4885GRIK1 3865/4885GRIK2 3919/4885

“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.