SCHEMBL3621067

SCHEMBL3621067

COc1cc(C(OC)c2ccc3c(c2)OCO3)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
NQO1 P15559 1/20 0.49
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.46
P4HB P07237 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
SMAD3 P84022 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL3625103 0.84 CYP3A4 (0.51) CYP3A4NQO1MAPTTP53P4HB
SCHEMBL3621060 0.83 CYP3A4 (0.53) CYP3A4NQO1MAPTTP53P4HB
SCHEMBL7993658 0.77 KMT2A (0.49) CYP3A4NQO1MAPTTP53ALDH1A1
SCHEMBL7431315 0.73 HTR2A (0.55) CYP3A4NQO1MAPTTP53ALDH1A1
SCHEMBL8412184 0.73 CYP3A4 (0.50) CYP3A4MAPK1SMAD3KMT2AMEN1
SCHEMBL10328415 0.72 CYP3A4 (0.53) CYP3A4MAPK1KMT2AMEN1CYP2D6
SCHEMBL7010764 0.71 PDE5A (0.59) CYP3A4NQO1MAPTTP53ALDH1A1
SCHEMBL12574161 0.69 CYP1A2 (0.45) CYP3A4MAPTKMT2AMEN1CYP2D6
SCHEMBL6454938 0.69 MAPT (0.81) NQO1MAPTTP53ALDH1A1MAPK1
SCHEMBL12635176 0.69 NQO1 (0.62) CYP3A4NQO1MAPTTP53ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709526-B2 Use of cyclolignans and new cyclolignans BIOVITRUM AB (SE) 2010-05-04 US disclosed
US-7709526-B2 Use of cyclolignans and new cyclolignans BIOVITRUM AB (SE) 2010-05-04 US disclosed
US-7709526-B2 Use of cyclolignans and new cyclolignans BIOVITRUM AB (SE) 2010-05-04 US disclosed
US-20060154982-A1 for treatment of insulin-like growth factor-1 receptor (IGF-1R) dependent diseases such as cancer, psoriasis, arteriosclerosis or is at risk of restenosis of the coronary arteries after vascular surgery AXELAR AB (SE) 2006-07-13 US disclosed
US-20040167208-A1 Use or cyclolignans and new cyclolignans AXELAR AB (SE) 2004-08-26 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 (2 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-20040167208-A1 Use or cyclolignans and new cyclolignans IGF1R, IGFBP1, INSR CYP3A4 3909/4885NQO1 4169/4885MAPT 4101/4885
US-20060154982-A1 for treatment of insulin-like growth factor-1 receptor (IGF-1R) dependent diseases such as cancer, psoriasis, arteriosclerosis or is at risk of restenosis of the coronary arteries after vascular surgery IGF1R, IGFBP1, IRS1 CYP3A4 4860/4885NQO1 4793/4885MAPT 3716/4885

“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.