SCHEMBL69641

SCHEMBL69641

COc1c([N+](=O)[O-])ccc(O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.49
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CTSB P07858 2/20 0.46
CYP3A4 P08684 1/20 0.46
HIF1A Q16665 1/20 0.46
GPR35 Q9HC97 4/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSH P09668 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
CASP6 P55212 1/20 0.40

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
SCHEMBL6599426 0.87 TPMT (0.50) TPMTTP53HPGDTSHRSMN1; SMN2
SCHEMBL9023924 0.84 ALDH1A1 (0.50) TPMTCYP3A4GPR35ALDH1A1MAPK1
SCHEMBL31118308 0.84 TPMT (0.47) TPMTTP53HPGDTSHRSMN1; SMN2
SCHEMBL34473998 0.82 TDP1 (0.47) TPMTTP53HPGDTSHRSMN1; SMN2
SCHEMBL7218657 0.80 TPMT (0.47) TPMTTP53HPGDTSHRSMN1; SMN2
SCHEMBL11265430 0.80 GPR35 (0.50) TPMTTP53HPGDTSHRSMN1; SMN2
SCHEMBL791231 0.80 MAPT (0.58) TPMTTSHRGPR35TDP1MAPT
SCHEMBL790725 0.80 ERN1 (0.54) TPMTCYP3A4ALDH1A1ALOX15HSD17B10
SCHEMBL34473595 0.79 TDP1 (0.47) TPMTTP53HPGDTSHRSMN1; SMN2
SCHEMBL8321673 0.78 TPMT (0.40) TPMTCYP3A4GPR35ALDH1A1TDP1

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 5 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

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 TPMT 4187/4885TP53 1492/4885HPGD 3275/4885

“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.