SCHEMBL5606955

SCHEMBL5606955

CCOC(=O)COc1ccc(Cc2c(OCc3ccccc3)ccc3[nH]c(-c4ccc(OC(C)C)cc4)c(C)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ESR1 P03372 2/20 0.42
LMNA P02545 1/20 0.42
PRMT5 O14744 3/20 0.41
GABRA1 P14867 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA2 P47869 4/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
GABRP O00591 3/20 0.39
GABRD O14764 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA4 P48169 3/20 0.39
GABRE P78334 3/20 0.39
GABRA6 Q16445 3/20 0.39

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
SCHEMBL5657055 0.87 MCL1 (0.37) L3MBTL1LMNAGABRA1GABRG2GABRB3
SCHEMBL17845147 0.72 LMNA (0.41) L3MBTL1LMNAPOLBMAPTALDH1A1
SCHEMBL5276098 0.72 MAPT (0.44) L3MBTL1LMNAPRMT5GABRA1GABRG2
SCHEMBL6187602 0.69 NR1H4 (0.64) L3MBTL1LMNAMAPTHPGDALDH1A1
SCHEMBL5271822 0.68 MAPT (0.49) L3MBTL1LMNAGABRA1GABRG2GABRB3
SCHEMBL4155561 0.68 ESR1 (0.53) L3MBTL1ESR1LMNASMN1; SMN2
SCHEMBL28786149 0.67 THRB (0.56) L3MBTL1ESR1LMNAPOLBHPGD
SCHEMBL8625075 0.67 ALDH1A1 (0.59) L3MBTL1LMNAPOLBMAPTHPGD
SCHEMBL4418341 0.66 CASP3 (0.59) L3MBTL1LMNAMAPTHPGDALDH1A1
SCHEMBL9811660 0.65 HPGD (0.57) LMNAPOLBMAPTHPGDALDH1A1

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-20070135397-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations WYETH (US) 2007-06-14 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-20070135397-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations ESR2, ESR1, CYP19A1 L3MBTL1 4822/4885ESR1 2/4885LMNA 3265/4885

“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.