SCHEMBL1898142

SCHEMBL1898142

O=C(O)c1ccc(O)c([N+](=O)[O-])c1.[KH]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.70
TSHR P16473 3/20 0.64
LMNA P02545 1/20 0.64
HCAR3 P49019 8/20 0.58
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GPR35 Q9HC97 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
APEX1 P27695 1/20 0.54
KDM4E B2RXH2 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL106249 0.98 CASP6 (0.72) CASP6TSHRLMNAHCAR3MAPK1
SCHEMBL2636747 0.98 CASP6 (0.72) CASP6TSHRLMNAHCAR3MAPK1
SCHEMBL9469176 0.96 CASP6 (0.70) CASP6TSHRLMNAHCAR3MAPK1
Hydrochloric Acid SCHEMBL10607831 0.95 CASP6 (0.68) CASP6TSHRLMNAHCAR3MAPK1
Benzoic Acid SCHEMBL28359564 0.91 CASP6 (0.64) CASP6TSHRLMNAHCAR3MAPK1
SCHEMBL7103159 0.85 VCAM1 (0.65) CASP6TSHRLMNAMAPK1ALDH1A1
SCHEMBL2156599 0.85 MAPK1 (0.60) CASP6TSHRLMNAMAPK1ALDH1A1
SCHEMBL4340852 0.84 ERN1 (0.61) CASP6TSHRLMNAMAPK1ALDH1A1
SCHEMBL9660912 0.84 GPR35 (0.55) CASP6TSHRLMNAHCAR3MAPK1
SCHEMBL459609 0.83 CASP6 (0.72) CASP6TSHRLMNAHCAR3TP53

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-20110124745-A1 Switchable Anionic Surfactants and Methods of Making and Using Same QUEEN'S UNIVERSITY AT KINGSTON (CA) 2011-05-26 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-20110124745-A1 Switchable Anionic Surfactants and Methods of Making and Using Same PHOSPHO1, SGMS1, SGMS2 CASP6 3073/4885TSHR 3346/4885LMNA 741/4885

“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.