SCHEMBL1345196

SCHEMBL1345196

COc1c2ccoc2c(OCCCBr)c2oc(C)cc(=O)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.74
CYP1A1 P04798 4/20 0.74
HPGD P15428 3/20 0.74
CYP1A2 P05177 3/20 0.74
CYP1B1 Q16678 3/20 0.74
ALDH1A1 P00352 3/20 0.74
MAPK1 P28482 2/20 0.74
CYP2D6 P10635 1/20 0.74
PDE4A P27815 1/20 0.74
CYP2C19 P33261 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
KCNA3 P22001 9/20 0.69
MAPT P10636 2/20 0.53
ADORA3 P0DMS8 1/20 0.51
THRB P10828 1/20 0.51
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALOX15 P16050 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
SCHEMBL1344680 0.94 CYP3A4 (0.76) CYP3A4CYP1A1HPGDCYP1A2CYP1B1
SCHEMBL12132138 0.88 CYP1A1 (0.76) CYP3A4CYP1A1HPGDCYP1A2CYP1B1
SCHEMBL13920848 0.86 CYP3A4 (0.81) CYP3A4CYP1A1HPGDCYP1A2CYP1B1
Khellin SCHEMBL9655 0.86 CYP3A4 (1.00) CYP3A4CYP1A1HPGDCYP1A2CYP1B1
Khellin SCHEMBL30839911 0.86 CYP3A4 (1.00) CYP3A4CYP1A1HPGDCYP1A2CYP1B1
SCHEMBL3615938 0.83 CYP1A1 (0.57) CYP3A4CYP1A1HPGDCYP1A2CYP1B1
SCHEMBL10300860 0.82 CYP3A4 (0.74) CYP3A4CYP1A1HPGDCYP1A2CYP1B1
SCHEMBL13920849 0.81 CYP3A4 (0.81) CYP3A4CYP1A1HPGDCYP1A2CYP1B1
SCHEMBL3608253 0.81 CYP1A1 (0.64) CYP3A4CYP1A1HPGDCYP1A2CYP1B1
SCHEMBL10300857 0.81 CYP1A1 (0.71) CYP3A4CYP1A1HPGDCYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063093-B2 Derivatives of 5-(halo)alkanoyl-6-hydroxy- benozofuran, benzothiophene, or indole; autoimmune diseases; systemic lupus erythematosis, rheumatoid arthritis, multiple sclerosis and psoriasis, transplant rejection; antiproliferative, anticarcinogenic, antidiabetic, antiinflammatory and antiulcer agents HARVEY ANDREW J (AU) 2011-11-22 US disclosed
US-8063093-B2 Derivatives of 5-(halo)alkanoyl-6-hydroxy- benozofuran, benzothiophene, or indole; autoimmune diseases; systemic lupus erythematosis, rheumatoid arthritis, multiple sclerosis and psoriasis, transplant rejection; antiproliferative, anticarcinogenic, antidiabetic, antiinflammatory and antiulcer agents HARVEY ANDREW J (AU) 2011-11-22 US disclosed
US-20080221194-A1 Novel Potassium channel Blockers and Uses Thereof HARVEY ANDREW J 2008-09-11 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-20080221194-A1 Novel Potassium channel Blockers and Uses Thereof KCNAB1, KCNB1, KCNMB1 CYP3A4 2095/4885CYP1A1 1790/4885HPGD 3279/4885

“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.