SCHEMBL14554263

SCHEMBL14554263

COc1cc(C=O)ccc1OCc1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.66
MAPT P10636 4/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
FDPS P14324 1/20 0.65
SMN1; SMN2 Q16637 7/20 0.64
TSHR P16473 1/20 0.60
PDCD1 Q15116 1/20 0.60
CD274 Q9NZQ7 1/20 0.60
TACR2 P21452 1/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
HTT P42858 2/20 0.58
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
PAX8 Q06710 1/20 0.56
KLF5 Q13887 1/20 0.56

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
SCHEMBL2699064 0.88 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL12517074 0.88 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL7784719 0.88 PDCD1 (0.74) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL24723792 0.87 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL413085 0.87 TACR2 (0.78) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL1353565 0.87 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL28666354 0.87 ALDH1A1 (0.74) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL161066 0.87 ALDH1A1 (0.73) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL29956112 0.86 SMN1; SMN2 (0.76) ALDH1A1MAPTMEN1KMT2AFDPS
SCHEMBL25221916 0.86 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 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 (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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B ALDH1A1 2656/4885MAPT 1880/4885MEN1 4275/4885

“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.