SCHEMBL17493045

SCHEMBL17493045

O=C(O)c1cc(OCC2CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PARP10 Q53GL7 5/20 0.44
PARP15 Q460N3 4/20 0.44
PARP2 Q9UGN5 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.42
NR1H4 Q96RI1 2/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL17493027 0.86 TDP1 (0.52) SIGMAR1TLR4TLR2TDP1PARP10
SCHEMBL13836687 0.83 SIGMAR1 (0.52) SIGMAR1TLR4TLR2PARP10PARP15
SCHEMBL8872227 0.80 MAPT (0.61) DTYMKMEN1KMT2ATTRPPOX
SCHEMBL27248687 0.79 DTYMK (0.51) DTYMKMEN1KMT2ATTRPPOX
SCHEMBL30301856 0.79 DTYMK (0.51) DTYMKMEN1KMT2ATTRPPOX
SCHEMBL2558176 0.79 PARP10 (0.49) SIGMAR1TLR4TLR2TDP1PARP10
SCHEMBL28034902 0.79 SIGMAR1 (0.49) SIGMAR1TLR4TLR2PARP10PARP15
SCHEMBL27038419 0.79 SIGMAR1 (0.49) SIGMAR1TLR4TLR2MEN1KMT2A
SCHEMBL29739999 0.79 PARP10 (0.49) SIGMAR1TLR4TLR2TDP1PARP10
SCHEMBL31536503 0.79 PARP10 (0.50) PARP10PARP15PARP2NR1H4KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107337621-A Dicarboxylic acid compound 第三共株式会社 2017-11-10 CN disclosed
CN-107311895-A Dicarboxylic acid compound 第三共株式会社 2017-11-03 CN disclosed
EP-2990400-B1 DICARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2017-06-21 EP disclosed
US-9670173-B2 Dicarboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-06-06 US disclosed
US-9617232-B2 Dicarboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-11 US disclosed
US-20170015641-A1 DICARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-01-19 US disclosed
EP-2990400-A1 DICARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-03-02 EP disclosed
US-20160046568-A1 DICARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-18 US disclosed
CN-105121405-A Dicarboxylic acid compound DAIICHI SANKYO CO LTD 2015-12-02 CN 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-20170015641-A1 DICARBOXYLIC ACID COMPOUND CA2, HCAR2, SLC5A2 DTYMK 2300/4885SIGMAR1 2245/4885TLR4 3016/4885
US-20160046568-A1 DICARBOXYLIC ACID COMPOUND CA2, HCAR2, SLC5A2 DTYMK 2300/4885SIGMAR1 2245/4885TLR4 3016/4885

“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.