SCHEMBL13946563

SCHEMBL13946563

CCCCC1(c2ccc(OC)c(OC)c2)OCCO1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
CASP1 P29466 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.38
EPHX2 P34913 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL13946565 0.87 MAOA (0.44) MAOACASP1GAATSHRALDH1A1
SCHEMBL13946568 0.78 SLC2A1 (0.51) ALDH1A1
SCHEMBL12935923 0.77 ALOX5 (0.44) ALDH1A1HTR1A
SCHEMBL13946562 0.77 SCN1A (0.62) TSHRPDE4DALDH1A1HTR1AMAPK1
SCHEMBL18287910 0.75 MAOA (0.50) MAOACASP1GAATSHRPDE4B
SCHEMBL2082072 0.74 CNR1 (0.40) ALDH1A1LMNACNR1CNR2HDAC3
SCHEMBL13242104 0.74 SLC6A4 (0.36) LMNAHTR7
SCHEMBL14778726 0.74 OPRM1 (0.45) TSHRMAPK1
Hydrochloric Acid SCHEMBL11833439 0.73 CHRNA7 (0.36) MAOACASP1GAATSHRPDE4B
SCHEMBL2084317 0.73 CNR1 (0.40) ALDH1A1LMNACNR1CNR2

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-20090030056-A1 NOVEL SODIUM CHANNEL BLOCKERS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-01-29 US disclosed
US-7439383-B2 Sodium channel blockers UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-21 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-20090030056-A1 NOVEL SODIUM CHANNEL BLOCKERS SCNN1B, SCN1B, KCNN2 MAOA 2380/4885CASP1 2462/4885GAA 4705/4885

“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.