SCHEMBL4553464

SCHEMBL4553464

CC(C(=O)O)C1CCOc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.39
LTA4H P09960 1/20 0.39
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL4553264 0.84 LMNA (0.59) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL25762234 0.75 HPGD (0.42) LMNASMN1; SMN2MAPTNPSR1
SCHEMBL7270775 0.75 HPGD (0.42) LMNASMN1; SMN2MAPTNPSR1
SCHEMBL4553784 0.73 P2RX4 (0.40) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL27852026 0.73 LMNA (0.61) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL5608372 0.72 HPGD (0.47) SMN1; SMN2ALDH1A1GAAPOLBHTT
SCHEMBL1567220 0.72 LMNA (0.59) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL4552435 0.69 HTT (0.55) LMNASMN1; SMN2ALDH1A1GAAPOLB
Acetic Acid SCHEMBL27798760 0.68 SMN1; SMN2 (0.68) LMNASMN1; SMN2MAPTNPSR1GAA
SCHEMBL10832911 0.67 LMNA (0.57) LMNASMN1; SMN2MAPTNPSR1ALDH1A1

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.