SCHEMBL2398844

SCHEMBL2398844

O=C(O)c1ccc(-c2cccoc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
MIF P14174 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SCN2A Q99250 1/20 0.42

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
SCHEMBL812897 0.81 CTRC (0.48) ALDH1A1TDP1POLBMAPTL3MBTL1
SCHEMBL2396285 0.80 KMT2A (0.54) ALDH1A1TDP1MEN1POLBKMT2A
SCHEMBL25390971 0.76 TSHR (0.62) TSHRTP53CA12CA1CA2
Naphthalene SCHEMBL29025700 0.76 KDM4E (0.46) ALDH1A1POLBMAPTKMT2AL3MBTL1
SCHEMBL4682626 0.76 KEAP1 (0.66) KEAP1ALDH1A1TDP1MEN1POLB
SCHEMBL31327313 0.74 TSHR (0.59) TSHRTP53CA12CA1CA2
SCHEMBL31236746 0.74 TSHR (0.59) TSHRTP53CA12CA1CA2
SCHEMBL36017 0.74 TSHR (0.59) MAPTTSHRTP53CA12CA1
SCHEMBL6689631 0.74 GSTP1 (0.48) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL28931527 0.72 TSHR (0.55) TSHRTP53FOLH1BCL2L1BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101304969-B Benzene derivative or salt thereof ASTELLAS PHARMA INC 2012-01-18 CN disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
CN-101304969-A Benzene derivative or salt thereof ASTELLAS PHARMA INC (JP) 2008-11-12 CN disclosed
EP-1947086-A1 BENZENE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-07-23 EP disclosed
EP-1947086-A1 BENZENE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-07-23 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 (1 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-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF F12, F2, SERPINC1 KEAP1 821/4885ALDH1A1 3722/4885TDP1 2775/4885

“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.