SCHEMBL69563

SCHEMBL69563

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 1.00
ALDH1A1 P00352 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
ALOX12 P18054 2/20 0.47
RECQL P46063 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL19497421 0.88 GPR35 (0.78) GPR35ALDH1A1CRHBPCRHR2CA12
SCHEMBL690829 0.88 GPR35 (0.78) GPR35ALDH1A1CRHBPCRHR2CA12
SCHEMBL7123712 0.87 GPR35 (0.77) GPR35ALDH1A1CA12CA1CA2
SCHEMBL7028676 0.86 GPR35 (0.74) GPR35ALDH1A1CRHBPCRHR2MEN1
SCHEMBL7021569 0.84 GPR35 (0.72) GPR35ALDH1A1MEN1KMT2AHPGD
SCHEMBL7024419 0.84 GPR35 (0.72) GPR35ALDH1A1MEN1KMT2ATDP1
SCHEMBL7031408 0.82 GPR35 (0.68) GPR35ALDH1A1CRHBPCRHR2MEN1
SCHEMBL28570533 0.81 GPR35 (0.68) GPR35ALDH1A1CRHBPCRHR2CA12
SCHEMBL15851029 0.81 GPR35 (0.68) GPR35ALDH1A1CRHBPCRHR2CA12
SCHEMBL7028726 0.81 GPR35 (0.66) GPR35ALDH1A1TDP1TTRMAPT

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
US-4376678-A Method of inhibiting polymerization of vinyl aromatic compounds AMERICAN HOECHST CORPORATION (US) 1983-03-15 US claimed
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
US-4623430-A PRETREATED ASPHALTS OR ASPHALTENES COSDEN TECHNOLOGY, INC. (US) 1986-11-18 US disclosed
US-4623431-A ASPHALTENE AND OXYGEN COSDEN TECHNOLOGY, INC. (US) 1986-11-18 US disclosed
US-4376678-A Method of inhibiting polymerization of vinyl aromatic compounds AMERICAN HOECHST CORPORATION (US) 1983-03-15 US disclosed
US-4376678-A Method of inhibiting polymerization of vinyl aromatic compounds AMERICAN HOECHST CORPORATION (US) 1983-03-15 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 2050/4885ALDH1A1 1882/4885CRHBP 2951/4885

“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.