SCHEMBL6701294

SCHEMBL6701294

O=[N+]([O-])c1cccc(B(O)O)c1.O=[N+]([O-])c1ccccc1B(O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 5/20 0.44
ACHE P22303 1/20 0.44
ALOX15 P16050 1/20 0.44
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TP53 P04637 1/20 0.41
PTPN1 P18031 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 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
SCHEMBL29758194 0.86 TSHR (0.61) TSHRLMNAALDH1A1ACHEALOX15
SCHEMBL127723 0.86 TSHR (0.61) TSHRLMNAALDH1A1ACHEALOX15
Hydrochloric Acid SCHEMBL28382242 0.84 TSHR (0.59) TSHRLMNAALDH1A1ACHEALOX15
SCHEMBL29614987 0.82 HSD17B10 (0.54) TSHRALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL28117 0.82 HSD17B10 (0.54) TSHRALDH1A1KMT2ASMN1; SMN2TDP1
Phosphoric Acid SCHEMBL28445592 0.80 TSHR (0.53) TSHRLMNAALDH1A1ACHEALOX15
SCHEMBL6981176 0.77 ALDH1A1 (0.66) TSHRLMNAALDH1A1ACHEALOX15
SCHEMBL16812678 0.76 TSHR (0.57) TSHRLMNAALDH1A1ACHEALOX15
SCHEMBL1668771 0.75 TSHR (0.47) TSHRLMNAALDH1A1ACHEALOX15
Cadaverine Tartrate SCHEMBL28355308 0.75 TP53 (0.49) TSHRLMNAALDH1A1ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186132-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2004-09-23 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-20040186132-A1 Steroid receptor modulator compounds and methods NR5A1, ESRRA, NR3C2 TSHR 206/4885LMNA 3905/4885ALDH1A1 3161/4885

“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.