SCHEMBL17830930

SCHEMBL17830930

Cc1ccc2c(c1)C(CCCCCCBr)(CCCCCCBr)c1cc(Br)ccc1-2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
S100A4 P26447 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
SCHEMBL16625772 0.92 PDK2 (0.35) PDK2
SCHEMBL16204111 0.92 PDK2 (0.35) PDK2
SCHEMBL32680096 0.91 PDK2 (0.36) PDK2S100A4
SCHEMBL31125229 0.91 PDK2 (0.36) PDK2S100A4
SCHEMBL30433641 0.91 PDK2 (0.36) PDK2S100A4
SCHEMBL25491614 0.91 PDK2 (0.36) PDK2S100A4
SCHEMBL1818067 0.91 PDK2 (0.36) PDK2S100A4
SCHEMBL3851000 0.91 PDK2 (0.36) PDK2S100A4
SCHEMBL40737 0.91 PDK2 (0.36) PDK2S100A4
SCHEMBL29386996 0.91 PDK2 (0.36) PDK2S100A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9915669-B2 Water soluble polyfluorene functionalized with glucuronic acid useful in bilirubin sensing COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-03-13 US disclosed
US-20160169917-A1 WATER SOLUBLE POLYFLUORENE FUNCTIONALIZED WITH GLUCURONIC ACID USEFUL IN BILIRUBIN SENSING COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-16 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-20160169917-A1 WATER SOLUBLE POLYFLUORENE FUNCTIONALIZED WITH GLUCURONIC ACID USEFUL IN BILIRUBIN SENSING UGT1A1, UGT2B7, UGT1A7 PDK2 3273/4885ALDH1A1 369/4885MAPK1 2874/4885

“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.