SCHEMBL4473652

SCHEMBL4473652

COc1[c]c2ccocc-2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ERN1 O75460 1/20 0.35
FYN P06241 1/20 0.35
PDGFRB P09619 1/20 0.33
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
KLK1 P06870 1/20 0.32
PRSS1 P07477 1/20 0.32
TUBB4A P04350 4/20 0.32
TUBB P07437 4/20 0.32
TUBA3C P0DPH7 4/20 0.32
TUBA1B P68363 4/20 0.32
TUBA4A P68366 4/20 0.32
TUBB4B P68371 4/20 0.32
TUBB3 Q13509 4/20 0.32
TUBB2A Q13885 4/20 0.32

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
SCHEMBL4478147 0.75 CYP1A2 (0.31) CYP1A1CYP1A2CYP1B1
SCHEMBL4477931 0.71 CSNK2A1 (0.34)
SCHEMBL4463886 0.71 ERN1 (0.33) ERN1
SCHEMBL4694568 0.69 ADORA2A (0.37) ERN1FYNPLAUPPARG
SCHEMBL4853131 0.67 ABL1 (0.36) CYP1A1CYP1A2CYP1B1
SCHEMBL4459971 0.67 CYP2A6 (0.38) ERN1PDGFRBTUBB4ATUBBTUBA3C
SCHEMBL6336378 0.67 ERN1 (0.30) ERN1
SCHEMBL7688531 0.67 KDM4E (0.33)
SCHEMBL27657345 0.67
SCHEMBL6334980 0.66 ADORA2A (0.35) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
US-20040132748-A1 Novel adenne derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-08 US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP 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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 CYP1A1 770/4885CYP1A2 628/4885CYP1B1 1237/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG CYP1A1 314/4885CYP1A2 175/4885CYP1B1 448/4885

“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.