SCHEMBL6009065

SCHEMBL6009065

CCN(CC)CCOc1ccc(C(C)(c2ccccc2)c2ccccc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
HTT P42858 2/20 0.51
CYP1A2 P05177 1/20 0.51
LTA4H P09960 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ESR1 P03372 6/20 0.47
EBP Q15125 5/20 0.47
ESR2 Q92731 4/20 0.47
DHCR7 Q9UBM7 2/20 0.47
DRD3 P35462 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
KMT2A Q03164 3/20 0.45
KCNH2 Q12809 2/20 0.45
CHRM2 P08172 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
CHRM1 P11229 2/20 0.45
PTGS1 P23219 2/20 0.45
SLC6A2 P23975 2/20 0.45

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
SCHEMBL6769894 0.85 CYP2D6 (0.48) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL10879788 0.83 KMT2A (0.53) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL8707174 0.81 EBP (0.56) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL4314565 0.78 EBP (0.53) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL10880305 0.77 MEN1 (0.52) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL8784001 0.77 CA1 (0.48) HTTESR1ESR2KMT2APTGS1
SCHEMBL10356744 0.74 CYP2D6 (0.58) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL11262665 0.74 EBP (0.58) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL11579492 0.73 CYP2D6 (0.55) CYP2D6HTTCYP1A2LTA4HCYP2C9
SCHEMBL1405290 0.73 CYP2D6 (0.74) CYP2D6HTTCYP1A2LTA4HCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135560-A1 Prevention and treatment of cardiovascular pathologies with tamoxifen analogues NEORX CORPORATION 2006-06-22 US disclosed
US-6734208-B2 ADJUSTMENT TRANSFORMING GROWTH FACTOR CONCENTRATION; ANTIINFLAMMATORY AGENTS NEORX CORPORATION 2004-05-11 US disclosed
US-20030064970-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies NEORX CORPORATION 2003-04-03 US disclosed
US-5770609-A ADMINISTERING TAMOXIFEN DERIVATIVES TO INHIBIT SMOOTH MUSCLE CELL PROLIFERATION ASSOCIATED WITH VASCULAR TRAUMA FROM SURGERY OR TRANSPLANTATION OF ORGANS OR MEDICAL DEVICES NEORX CORPORATION (US) 1998-06-23 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-20060135560-A1 Prevention and treatment of cardiovascular pathologies with tamoxifen analogues TGFB1, TGFB2, TNNI3 CYP2D6 2203/4885HTT 2794/4885CYP1A2 2100/4885
US-20030064970-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies TGFB1, TGFB2, TEK CYP2D6 4879/4885HTT 2466/4885CYP1A2 4712/4885

“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.