SCHEMBL71057

SCHEMBL71057

O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2O)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.63
TXNRD3 Q86VQ6 1/20 0.63
TXNRD2 Q9NNW7 1/20 0.63
GPR35 Q9HC97 3/20 0.60
GAA P10253 2/20 0.58
THRB P10828 1/20 0.58
ALDH1A1 P00352 5/20 0.55
TSHR P16473 3/20 0.55
HPGD P15428 2/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 4/20 0.50
ERN1 O75460 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PDE7A Q13946 5/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TTR P02766 1/20 0.46

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
SCHEMBL8781050 0.85 GPR35 (0.56) TXNRD1TXNRD3TXNRD2GPR35GAA
SCHEMBL8780951 0.84 GPR35 (0.51) TXNRD1TXNRD3TXNRD2GPR35GAA
SCHEMBL30876805 0.79 ALDH1A1 (0.64) GPR35GAATHRBALDH1A1HPGD
SCHEMBL8781039 0.79 ALDH1A1 (0.64) GPR35GAATHRBALDH1A1HPGD
SCHEMBL8781083 0.79 ALDH1A1 (0.51) TXNRD1TXNRD3TXNRD2GPR35GAA
SCHEMBL11028069 0.79 GPR35 (0.69) GPR35GAATHRBALDH1A1TSHR
4-Nitrocatechol SCHEMBL156909 0.79 TSHR (0.69) GPR35GAATHRBALDH1A1TSHR
4-Nitrocatechol SCHEMBL11765698 0.79 TSHR (0.69) GPR35GAATHRBALDH1A1TSHR
4-Nitrocatechol SCHEMBL1608536 0.79 TSHR (0.69) GPR35GAATHRBALDH1A1TSHR
SCHEMBL8781019 0.78 KMT2A (0.65) TXNRD1TXNRD3TXNRD2GAATHRB

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
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
EP-0457334-B1 Carbonates of acetylenic alcohols NIPPON PAINT CO LTD (JP) 1994-08-10 EP disclosed
US-5258542-A Carbonates of acetylenic alcohols NIPPON PAINT CO., LTD. (JP) 1993-11-02 US disclosed
US-5194653-A Useful in making heat resistant liquid crystalline polymers NIPPON PAINT COMPANY, LIMITED (JP) 1993-03-16 US disclosed
EP-0457334-A1 Carbonates of acetylenic alcohols NIPPON PAINT CO., LTD. (JP) 1991-11-21 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 TXNRD1 4558/4885TXNRD3 4131/4885TXNRD2 4754/4885

“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.