SCHEMBL4314565

SCHEMBL4314565

CCN(CC)CCOc1ccc(C(O)(Cc2ccccc2OC)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 6/20 0.53
SIGMAR1 Q99720 5/20 0.53
CYP2D6 P10635 2/20 0.48
HTT P42858 2/20 0.48
CYP1A2 P05177 1/20 0.48
LTA4H P09960 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ESR1 P03372 6/20 0.47
ESR2 Q92731 4/20 0.47
DHCR7 Q9UBM7 2/20 0.47
DRD3 P35462 3/20 0.46
DRD1 P21728 2/20 0.46
DRD2 P14416 1/20 0.46
KMT2A Q03164 3/20 0.46
CHRM2 P08172 3/20 0.46
KCNH2 Q12809 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
CHRM1 P11229 2/20 0.46

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
SCHEMBL330094 0.84 SIGMAR1 (0.67) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL16910242 0.83 SIGMAR1 (0.69) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL10879788 0.82 KMT2A (0.53) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL8707174 0.82 EBP (0.56) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL10356744 0.81 CYP2D6 (0.58) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL6769894 0.80 CYP2D6 (0.48) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL7753432 0.78 SIGMAR1 (0.79) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL6009065 0.78 CYP2D6 (0.51) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL11709291 0.78 NPC1 (0.43) SIGMAR1CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3294808 0.77 CYP2D6 (0.54) EBPSIGMAR1CYP2D6HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511070-B2 Compounds and therapies for the prevention of vascular and non-vascular pathologies PONIARD PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
EP-1980246-A1 Prevention and treatment of cardiovascular pathologies with tamoxifen analogues Poniard Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
EP-0833624-B1 PREVENTION AND TREATMENT OF CARDIOVASCULAR PATHOLOGIES WITH TAMOXIFEN ANALOGUES PONIARD PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-7094550-B2 Method to determine TGF-beta NEORX CORPORATION (US) 2006-08-22 US disclosed
US-7084171-B2 Compounds and therapies for the prevention of vascular and non-vascular pathologies NEORX CORPORATION (US) 2006-08-01 US disclosed
US-20060084696-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies PONIARD PHARMACEUTICALS, INC. 2006-04-20 US disclosed
US-20060029986-A1 Prevention and treatment of cardiovascular pathologies PONIARD PHARMACEUTICALS, INC. 2006-02-09 US disclosed
US-20050020667-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies PONIARD PHARMACEUTICALS, INC. 2005-01-27 US disclosed
US-20020182659-A1 Method to determine TGF-beta NEORX CORPORATION 2002-12-05 US disclosed
US-20020068731-A1 Prevention and treatment of cardiovascular pathologies with tamoxifen analogues NEORX CORPORATION 2002-06-06 US disclosed
US-6395494-B1 SCREENING BLOOD SAMPLE FOR LIGAND BOUND TRANSFORMING GROWTH FACTOR; OBTAIN MAMMALIAN BLOOD, INCUBATE WITH BINDING PARTICLE, INCUBATE WITH DETECTION PARTICLE, DETECT BOUND COMPLEX, DETERMINE SENSITIVTY TOATHEROSCLEROSIS NEORX CORPORATION 2002-05-28 US disclosed
US-6262079-B1 TREATING NON-AORTAL PROCEDURAL VASCULAR TRAUMA COMPRISING ADMINISTERING TO A MAMMAL AN EFFECTIVE CYTOSTATIC ANTIPROLIFERATIVE AMOUNT OF A STRUCTURAL ANALOG OF TAMOXIFEN, OR A PHARMACEUTICALLY ACCEPTABLE SALT NEORX CORPORATION 2001-07-17 US disclosed
US-6251920-B1 ADMINISTERING TAMOXIFEN OR ITS STRUCTURAL ANALOGS FOR PROPHYLAXIS AND THERAPY OF ATHEROSCLEROSIS, THROMBOSIS, MYOCARDIAL INFARCTION AND STROKE NEORX CORPORATION 2001-06-26 US disclosed
US-6197789-B1 ANTIDIABETIC AGENTS NEORX CORPORATION 2001-03-06 US disclosed
US-6117911-A ADMINISTRATION OF AT LEAST ONE THERAPEUTIC AGENT THAT ELEVATES THE LEVEL OF TGF-BETA IN SAID MAMMAL. NEORX CORPORATION (US) 2000-09-12 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
US-5595722-A TRANSFORMING GROWTH FACTOR-BETA ACTIVATORS NEORX CORPORATION (US) 1997-01-21 US disclosed
US-5030417-A Method and kit to assay for steroid receptor functionality in cancerous cells MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1991-07-09 US disclosed
WO-1988008537-A1 KIT FOR ASSAYING STEROID RECEPTOR FUNCTIONALITY IN CANCEROUS CELLS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1988-11-03 WO 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 (3 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-20060084696-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies TGFB1, TGFB2, TEK EBP 64/4885SIGMAR1 3998/4885CYP2D6 4879/4885
US-20050020667-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies TGFB1, TGFB2, TEK EBP 64/4885SIGMAR1 3998/4885CYP2D6 4879/4885
US-20020068731-A1 Prevention and treatment of cardiovascular pathologies with tamoxifen analogues TGFB1, TGFB2, TGFBR1 EBP 43/4885SIGMAR1 1894/4885CYP2D6 1535/4885

“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.