SCHEMBL4466910

SCHEMBL4466910

COc1o[c]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.32
CA4 P22748 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
IDO1 P14902 1/20 0.31
MAPT P10636 1/20 0.31
EP300 Q09472 1/20 0.31
KAT8 Q9H7Z6 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
SCHEMBL5758730 0.68 GAA (0.43) ALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL5757896 0.68 SYK (0.40) ALDH1A1KDM4ESMN1; SMN2CYP1A2MAPT
SCHEMBL5758283 0.68 GABRA1 (0.38) MAPK1SMN1; SMN2CYP1A2
SCHEMBL4469319 0.67
SCHEMBL5758601 0.66 CYP1B1 (0.31)
SCHEMBL16321605 0.64 KEAP1 (0.31)
SCHEMBL2072098 0.62 ALDH1A1 (0.39) ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2
SCHEMBL2259297 0.62 ALDH1A1 (0.64) ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2
SCHEMBL4473636 0.61 CA1 (0.41) ALDH1A1KDM4EMAPK1SMN1; SMN2POLB
SCHEMBL29529441 0.60 ALDH1A1 (0.41) ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2

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 7 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
US-6268514-B1 TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS BASF AKTIENGESELLSCHAFT (DE) 2001-07-31 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-20040132748-A1 Novel adenne derivatives IRF3, IFNAR1, STING1 ALDH1A1 1181/4885KDM4E 2790/4885MAPK1 1794/4885
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 ALDH1A1 2467/4885KDM4E 2317/4885MAPK1 2192/4885

“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.