SCHEMBL70416

SCHEMBL70416

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc([N+](=O)[O-])c2O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.59
SNCA P37840 1/20 0.47
CYP2C19 P33261 3/20 0.46
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GALR3 O60755 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP2C9 P11712 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP2D6 P10635 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
CASP3 P42574 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
SCHEMBL690829 0.86 GPR35 (0.78) GPR35HTTMEN1KMT2AGALR3
SCHEMBL1600086 0.81 GPR35 (0.65) GPR35CYP2C19HTTMEN1KMT2A
SCHEMBL7028676 0.80 GPR35 (0.74) GPR35SNCAHTTMEN1KMT2A
SCHEMBL397532 0.79 GPR35 (0.62) GPR35CYP2C19HTTMEN1KMT2A
SCHEMBL15851029 0.79 GPR35 (0.68) GPR35HTTMEN1KMT2AGALR3
SCHEMBL9290344 0.79 ALDH1A1 (0.50) GPR35HTTMEN1KMT2AL3MBTL1
SCHEMBL29038591 0.78 GPR35 (0.55) GPR35SNCAHTTMEN1KMT2A
SCHEMBL5732555 0.78 GPR35 (0.61) GPR35HTTMEN1KMT2AGALR3
SCHEMBL1600191 0.78 GPR35 (0.61) GPR35HTTMEN1KMT2AGALR3
SCHEMBL1600032 0.77 POLB (0.53) GPR35CYP2C19HTTMEN1KMT2A

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 GPR35 2050/4885SNCA 3983/4885CYP2C19 3009/4885

“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.