SCHEMBL6763231

SCHEMBL6763231

COC(=O)c1cc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.61
TSHR P16473 1/20 0.50
MAPT P10636 4/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6766605 0.88 ESR1 (0.54) SLC6A3TSHRMAPTHSD17B10KDM4E
SCHEMBL6759838 0.86 KMT2A (0.50) SLC6A3TSHRMAPTHSD17B10KDM4E
SCHEMBL6761214 0.83 SLC6A3 (0.58) SLC6A3TSHRMAPTHSD17B10KDM4E
SCHEMBL6759803 0.83 TDP1 (0.54) SLC6A3TSHRMAPTMAPK1KMT2A
SCHEMBL6760438 0.83 LMNA (0.56) SLC6A3TSHRMAPTHSD17B10KDM4E
SCHEMBL6761423 0.81 TSHR (0.52) TSHRMAPTHSD17B10KDM4EMAPK1
SCHEMBL6766253 0.80 TSHR (0.63) SLC6A3TSHRMAPTKMT2AMEN1
SCHEMBL6759718 0.80 TSHR (0.53) TSHRMAPTHSD17B10KDM4EMAPK1
SCHEMBL6763875 0.79 ALDH1A1 (0.54) TSHRMAPTHSD17B10KDM4EMAPK1
SCHEMBL6761470 0.79 ALDH1A1 (0.54) TSHRMAPTHSD17B10KDM4EMAPK1

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-20040247698-A1 Erectile Dysfunction Treatment VALENZUELA CORTES CARMEN MARIA (CL) 2004-12-09 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-20040247698-A1 Erectile Dysfunction Treatment PDE3A, PDE3B, PDE12 SLC6A3 414/4885TSHR 4615/4885MAPT 1499/4885

“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.