SCHEMBL13895477

SCHEMBL13895477

C#CCOCCOCCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL13895478 1.00 TSHR (0.36) TSHRALDH1A1TDP1CA12CA1
SCHEMBL6140903 0.95
SCHEMBL21087406 0.83 TSHR (0.34) TSHR
SCHEMBL17689173 0.82 TSHR (0.45) TSHR
SCHEMBL15803984 0.80 TSHR (0.48) TSHRALDH1A1
SCHEMBL17401248 0.80 ALDH1A1 (0.46) ALDH1A1TDP1CA12CA1CA2
SCHEMBL9945700 0.80 ALDH1A1 (0.46) ALDH1A1TDP1CA12CA1CA2
SCHEMBL9945703 0.80 ALDH1A1 (0.46) ALDH1A1TDP1CA12CA1CA2
SCHEMBL22589673 0.80 TSHR (0.48) TSHRALDH1A1
SCHEMBL12360400 0.80 TSHR (0.48) TSHRALDH1A1

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
US-10017527-B2 KLK4 inhibitors UNIVERSITEIT ANTWERPEN (BE) 2018-07-10 US disclosed
EP-3049426-B1 GLYCOCLUSTERS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS CENTRE NAT RECH SCIENT (FR) 2017-11-01 EP disclosed
US-20170101427-A1 NOVEL KLK4 INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2017-04-13 US disclosed
WO-2015144933-A1 NOVEL KLK4 INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2015-10-01 WO disclosed
EP-2851371-A1 Glycoclusters and their pharmaceutical use as antibacterials Centre National de la Recherche Scientifique (CNRS) (FR) 2015-03-25 EP disclosed
US-20140079632-A1 ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR UNIVERSITEIT ANTWERPEN (BE) 2014-03-20 US disclosed
WO-2012152807-A1 ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR UNIVERSITEIT ANTWERPEN (BE) 2012-11-15 WO 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 (3 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-10017527-B2 KLK4 inhibitors KLK4, KLK3, KLK1 TSHR 3699/4885ALDH1A1 2531/4885TDP1 729/4885
US-20140079632-A1 ACTIVITY-BASED PROBES FOR THE UROKINASE PLASMINOGEN ACTIVATOR PLAU, SERPINE1, PRSS3 TSHR 1872/4885ALDH1A1 3114/4885TDP1 1420/4885
US-20170101427-A1 NOVEL KLK4 INHIBITORS KLK4, KLK3, KLK1 TSHR 3647/4885ALDH1A1 2787/4885TDP1 764/4885

“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.