SCHEMBL4553784

SCHEMBL4553784

CC(C(=O)O)C1Oc2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTGS2 P35354 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.36
CASP6 P55212 1/20 0.36
PRMT1 Q99873 1/20 0.36
CYP2D6 P10635 1/20 0.35
SRC P12931 1/20 0.35
MTNR1A P48039 1/20 0.35

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 0.75 LMNA (0.59) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL3928537 0.74 P2RX4 (0.36) P2RX4MAPTLMNASMN1; SMN2NPSR1
SCHEMBL6159693 0.74 P2RX4 (0.36) P2RX4MAPTLMNASMN1; SMN2NPSR1
SCHEMBL692925 0.73 LTA4H (0.37) P2RX4MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3686852 0.73 APAF1 (0.42) P2RX4MAPTLMNASMN1; SMN2NPSR1
SCHEMBL4553464 0.73 LMNA (0.47) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL11817121 0.72 HSD17B10 (0.50) POLB
SCHEMBL7270775 0.72 HPGD (0.42) MAPTLMNASMN1; SMN2NPSR1
SCHEMBL25762234 0.72 HPGD (0.42) MAPTLMNASMN1; SMN2NPSR1
SCHEMBL9091772 0.72 CYP2C9 (0.49) P2RX4LMNASMN1; SMN2NPSR1MEN1

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 P2RX4 44/4885MAPT 3452/4885LMNA 2841/4885
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 P2RX4 43/4885MAPT 3387/4885LMNA 2911/4885

“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.