SCHEMBL820406

SCHEMBL820406

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PAX8 Q06710 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.36
FAAH O00519 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL820203 0.95 HTR7 (0.48) HTR7KMT2AMEN1ATML3MBTL1
SCHEMBL820183 0.90 L3MBTL1 (0.43) HTR7KMT2AMEN1L3MBTL1LMNA
SCHEMBL820191 0.90 HTR7 (0.45) HTR7KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL820398 0.90 LMNA (0.43) HTR7KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL820403 0.89 HPGD (0.44) HTR7KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL820405 0.86 KDM4E (0.42) HTR7KMT2AMEN1ALDH1A1LMNA
SCHEMBL820612 0.82 LMNA (0.47) KMT2AMEN1ATML3MBTL1ALDH1A1
SCHEMBL820811 0.81 HTR7 (0.40) HTR7KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL820808 0.80 LMNA (0.42) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL820185 0.80 PDPK1 (0.44) KMT2AMEN1L3MBTL1ALDH1A1LMNA

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 HTR7 1983/4885KMT2A 2297/4885MEN1 1821/4885

“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.