SCHEMBL4261571

SCHEMBL4261571

CCCCCOSOCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 9/20 0.39
CA2 P00918 9/20 0.39
CA9 Q16790 9/20 0.39
CA12 O43570 4/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
LPAR3 Q9UBY5 6/20 0.37
LPAR2 Q9HBW0 5/20 0.37
LPAR1 Q92633 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37

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
SCHEMBL16610162 0.97 THRB (0.47) THRBTSHRCA1CA2CA9
SCHEMBL25259459 0.97 THRB (0.47) THRBTSHRCA1CA2CA9
SCHEMBL24506160 0.90 ADRB2 (0.45) THRBTSHRCA1CA2CA9
SCHEMBL18458351 0.84
SCHEMBL20060538 0.84 THRB (0.40) THRBTSHRCA1CA2CA9
SCHEMBL13056263 0.82 THRB (0.41) THRBTSHRCA1CA2CA9
SCHEMBL5368782 0.82 HTT (0.58) THRBTSHRMEN1HTTKMT2A
SCHEMBL7594341 0.79
SCHEMBL21842925 0.77 THRB (0.44) THRBTSHRCA1CA2CA9
SCHEMBL14818843 0.77 THRB (0.44) THRBTSHRCA1CA2CA9

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-8084625-B2 Crosslinking agent, crosslinking method, method of controlling gene expression, and method of examining gene function WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-27 US disclosed
US-20090023140-A1 CROSSLINKING AGENT, CROSSLINKING METHOD, METHOD OF CONTROLLING GENE EXPRESSION, AND METHOD OF EXAMINING GENE FUNCTION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-22 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-20090023140-A1 CROSSLINKING AGENT, CROSSLINKING METHOD, METHOD OF CONTROLLING GENE EXPRESSION, AND METHOD OF EXAMINING GENE FUNCTION DCLRE1A, RNGTT, NSUN2 THRB 4286/4885TSHR 3242/4885CA1 3648/4885

“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.