SCHEMBL6763979

SCHEMBL6763979

CCCCOC(=O)c1cc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 2/20 0.55
ESR1 P03372 6/20 0.52
TSHR P16473 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
MAPK1 P28482 1/20 0.52
NR1H2 P55055 1/20 0.52
RNASEL Q05823 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CNR2 P34972 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PDE4D Q08499 1/20 0.51
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL6762669 0.96 TDP1 (0.58) LMNATDP1ESR1TSHRMAPK1
SCHEMBL6761365 0.92 LMNA (0.69) LMNATDP1ESR1TSHRSMN1; SMN2
SCHEMBL6764009 0.86 KMT2A (0.54) LMNATDP1ESR1CYP1A2SMN1; SMN2
SCHEMBL28978386 0.84 LMNA (0.79) LMNATDP1ESR1TSHRCYP1A2
SCHEMBL97514 0.84 LMNA (0.79) LMNATDP1ESR1TSHRCYP1A2
SCHEMBL1869078 0.84 LMNA (0.79) LMNATDP1ESR1TSHRCYP1A2
SCHEMBL6761423 0.84 TSHR (0.52) LMNATDP1ESR1TSHRCYP1A2
SCHEMBL23175014 0.82 LMNA (0.76) LMNATDP1ESR1TSHRCYP1A2
SCHEMBL10547530 0.82 LMNA (0.76) LMNATDP1ESR1TSHRCYP1A2
Potassium SCHEMBL34464611 0.82 LMNA (0.76) LMNATDP1ESR1TSHRCYP1A2

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 LMNA 1504/4885TDP1 149/4885ESR1 189/4885

“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.