SCHEMBL820405

SCHEMBL820405

CCCCC(C(=O)OCCC)[C@H](CC(=O)c1ccc(F)cc1)c1ccc(OC)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TAS1R3 Q7RTX0 9/20 0.40
TAS1R1 Q7RTX1 9/20 0.40
HTR7 P34969 1/20 0.38
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
FFAR1 O14842 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL820203 0.88 HTR7 (0.48) KDM4EALDH1A1LMNAHTR7KMT2A
SCHEMBL820403 0.86 HPGD (0.44) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL820406 0.86 HTR7 (0.44) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL820183 0.83 L3MBTL1 (0.43) LMNAHTR7POLBKMT2ASLC6A3
SCHEMBL820191 0.82 HTR7 (0.45) ALDH1A1LMNAHTR7POLBKMT2A
SCHEMBL820398 0.82 LMNA (0.43) ALDH1A1LMNAHTTHTR7POLB
SCHEMBL820625 0.77 L3MBTL1 (0.49) ALDH1A1LMNAMAPTPOLBKMT2A
SCHEMBL820402 0.77 L3MBTL1 (0.55) ALDH1A1LMNAMAPTHTTPOLB
SCHEMBL820612 0.76 LMNA (0.47) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL820811 0.74 HTR7 (0.40) ALDH1A1LMNAHTTHTR7POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222177-B2 Catalyst and reaction process JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-17 US disclosed
US-20110054190-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-03 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-20110054190-A1 CATALYST AND REACTION PROCESS ME1, MAL2, ME2 KDM4E 2954/4885ALDH1A1 1375/4885LMNA 4105/4885

“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.