SCHEMBL4471575

SCHEMBL4471575

Cc1[c]cc2ccoc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR1B P28222 7/20 0.34
DYRK1A Q13627 3/20 0.33
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
EPM2A O95278 1/20 0.31
PTPRC P08575 1/20 0.31
PTPN6 P29350 1/20 0.31

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
SCHEMBL596938 0.83 CYP2A6 (0.37) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL4461777 0.75 CYP2A6 (0.36) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL4475506 0.75 CYP2A6 (0.36) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL27968676 0.75 CYP2A6 (0.36) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL2095369 0.75 CYP2A6 (0.36) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL4470606 0.75 CYP3A4 (0.35) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL18936187 0.71 CYP2A6 (0.46) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL5204008 0.71 ALDH1A1 (0.50) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL2149910 0.69 CYP2A6 (0.54) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL827570 0.69 CYP2A6 (0.45) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed
EP-2829555-B1 METHOD FOR PRODUCING OLEFIN POLYMER MITSUI CHEMICALS INC (JP) 2018-05-16 EP disclosed
CN-104203993-B Process for producing olefin polymer 三井化学株式会社 2016-06-15 CN disclosed
US-9315602-B2 Method for producing olefin polymer MITSUI CHEMICALS, INC. (JP) 2016-04-19 US disclosed
US-20150045523-A1 METHOD FOR PRODUCING OLEFIN POLYMER MITSUI CHEMICALS, INC. (JP) 2015-02-12 US disclosed
EP-2829555-A1 METHOD FOR PRODUCING OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2015-01-28 EP disclosed
CN-104203993-A Process for producing olefin polymer MITSUI CHEMICALS INC 2014-12-10 CN disclosed
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 CYP2A6 3427/4885KDM4E 2790/4885CYP3A4 1868/4885
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 CYP2A6 432/4885KDM4E 2317/4885CYP3A4 611/4885

“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.