SCHEMBL7021997

SCHEMBL7021997

CCOC(=O)c1cc(C(C)(C)c2cc(C(=O)OCC)c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.60
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GALR2 O43603 1/20 0.49
MITF O75030 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 3/20 0.46
ESR1 P03372 1/20 0.43
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL11075976 0.83 GPR35 (0.59) GPR35ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL10877588 0.82 GPR35 (0.55) GPR35ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL6010756 0.81 ALDH1A1 (0.51) GPR35ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL2312711 0.81 MAPT (0.54) GPR35ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL27516180 0.78 ALDH1A1 (0.49) GPR35ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7031408 0.77 GPR35 (0.68) GPR35ALDH1A1LMNAHPGDMAPT
SCHEMBL69563 0.77 GPR35 (1.00) GPR35ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL29858737 0.76 GPR35 (0.53) GPR35ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL11297000 0.75 MAPT (0.44) GPR35ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7028676 0.75 GPR35 (0.74) GPR35ALDH1A1SMN1; SMN2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608233-B2 Nitrating a bis(4-hydroxyphenyl) bonded to each other or through an electron-donating bridging group, sulfoxide, sulfone or carbonyl group using nitric acid in a solvent and free from other acids NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2003-08-19 US disclosed
US-20030055288-A1 Process for producting bis(4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2003-03-20 US disclosed
EP-1277727-A1 PROCESS FOR PRODUCING BIS(4-HYDROXY-3-NITROPHENYL) COMPOUND Nippon Kayaku Kabushiki Kaisha (JP) 2003-01-22 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-20030055288-A1 Process for producting bis(4-hydroxy-3-nitrophenyl) compound NOS3, NOS2, NOS1 GPR35 3425/4885ALDH1A1 1215/4885LMNA 3038/4885

“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.