SCHEMBL4553264

SCHEMBL4553264

CC(C(=O)O)C1COc2ccccc2O1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 2/20 0.46
MTNR1A P48039 1/20 0.46
HPGD P15428 2/20 0.43
RAB9A P51151 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL27852026 0.89 LMNA (0.61) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL1567220 0.87 LMNA (0.59) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL4553464 0.84 LMNA (0.47) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL10832911 0.80 LMNA (0.57) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL1568390 0.80 LMNA (0.57) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL13676827 0.79 LMNA (0.56) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL12340 0.79 LMNA (0.56) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL13533398 0.79 LMNA (0.56) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL14661730 0.78 ALDH1A1 (0.40) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL7270775 0.77 HPGD (0.42) LMNASMN1; SMN2MAPTNPSR1HPGD

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 4 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-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

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 LMNA 2841/4885SMN1; SMN2 3235/4885MAPT 3452/4885
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 LMNA 2911/4885SMN1; SMN2 3189/4885MAPT 3387/4885

“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.