SCHEMBL556415

SCHEMBL556415

CCOP(=O)(OCC)Oc1ccc(/C(C)=C/C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
LTB4R Q15722 5/20 0.34
LTB4R2 Q9NPC1 5/20 0.34
BLM P54132 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
NR1I2 O75469 1/20 0.32
STAT6 P42226 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CA12 O43570 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA3 P07451 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL556416 1.00 CA1 (0.41) CA1CA2BCHEACHEMEN1
SCHEMBL557120 0.80 NR4A1 (0.38) ALDH1A1
SCHEMBL557121 0.80 NR4A1 (0.38) ALDH1A1
SCHEMBL557324 0.79 CA1 (0.49) CA1CA2BCHEACHEMEN1
SCHEMBL557322 0.79 CA1 (0.49) CA1CA2BCHEACHEMEN1
SCHEMBL557323 0.79 CA1 (0.49) CA1CA2BCHEACHEMEN1
SCHEMBL557184 0.79 CA2 (0.44) CA1CA2BCHEACHEMEN1
SCHEMBL557182 0.79 CA2 (0.44) CA1CA2BCHEACHEMEN1
SCHEMBL557010 0.76 LTB4R (0.34) MEN1KMT2ALTB4RLTB4R2HPGD
SCHEMBL557009 0.76 LTB4R (0.34) MEN1KMT2ALTB4RLTB4R2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF STAT3, JAK2, STAT6 CA1 4749/4885CA2 4451/4885BCHE 4848/4885

“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.