SCHEMBL6767288

SCHEMBL6767288

O=C(Oc1cc(C(=O)O)c(O)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.59
ESR2 Q92731 2/20 0.59
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SLC6A3 Q01959 1/20 0.46
SERPINE1 P05121 1/20 0.46
HSD17B10 Q99714 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
JAK2 O60674 1/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 2/20 0.41
POLA1 P09884 1/20 0.41
ANTXR2 P58335 1/20 0.41

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
SCHEMBL6763898 0.83 ESR1 (0.54) ESR1ESR2MAPTKMT2ASMN1; SMN2
SCHEMBL6761456 0.83 ESR1 (0.54) ESR1ESR2MAPTKMT2ASMN1; SMN2
SCHEMBL6766605 0.83 ESR1 (0.54) ESR1ESR2MAPTKMT2ASMN1; SMN2
SCHEMBL6763919 0.83 ESR1 (0.54) ESR1ESR2MAPTKMT2ASMN1; SMN2
SCHEMBL6762181 0.82 ESR1 (0.52) ESR1ESR2MAPTKMT2ASMN1; SMN2
SCHEMBL6762604 0.81 ESR1 (0.51) ESR1ESR2MAPTKMT2ASMN1; SMN2
SCHEMBL6762576 0.79 MDM2 (0.52) ESR1ESR2MAPTKMT2ASMN1; SMN2
SCHEMBL6764011 0.78 MAPT (0.55) ESR1ESR2MAPTKMT2ASMN1; SMN2
SCHEMBL10355759 0.77 ESR1 (0.57) ESR1ESR2MAPTKMT2ASMN1; SMN2
SCHEMBL796288 0.76 ESR1 (0.59) ESR1ESR2MAPTKMT2ASMN1; SMN2

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 ESR1 189/4885ESR2 102/4885MAPT 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.