SCHEMBL11154751

SCHEMBL11154751

CCOC(=O)Cc1cc(OC)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
MAPT P10636 6/20 0.49
CYP2D6 P10635 1/20 0.49
GRM8 O00222 1/20 0.48
GRM4 Q14833 1/20 0.48
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EGFR P00533 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
JUN P05412 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6859778 0.89 GPR35 (0.51) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL10729232 0.83 RAB9A (0.55) RAB9AMAPTCYP2D6GRM8GRM4
SCHEMBL11158875 0.83 RAB9A (0.55) RAB9AMAPTCYP2D6GRM8GRM4
SCHEMBL5091684 0.83 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNA
SCHEMBL8297049 0.82 RAB9A (0.59) RAB9AMAPTCYP2D6GRM8GRM4
SCHEMBL7031564 0.80 RAB9A (0.60) RAB9AMAPTCYP2D6GRM8GRM4
SCHEMBL11310051 0.79 LMNA (0.45) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL345717 0.79 RAB9A (0.59) RAB9AMAPTCYP2D6GRM8GRM4
SCHEMBL309910 0.78 ESR1 (0.56) RAB9AMAPTALDH1A1KDM4EPOLB
SCHEMBL29988556 0.78 THRB (0.43) MAPTALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
EP-0091302-A1 Beta-lactam derivatives BEECHAM GROUP PLC (GB) 1983-10-12 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 (2 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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 RAB9A 2031/4885MAPT 3452/4885CYP2D6 1652/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 RAB9A 1967/4885MAPT 3387/4885CYP2D6 1472/4885

“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.