SCHEMBL820203

SCHEMBL820203

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.48
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL820406 0.95 HTR7 (0.44) HTR7NPC1RAB9AFAAHALDH1A1
SCHEMBL820183 0.94 L3MBTL1 (0.43) HTR7FAAHLMNAL3MBTL1KMT2A
SCHEMBL820191 0.94 HTR7 (0.45) HTR7NPC1ALDH1A1CYP3A4LMNA
SCHEMBL820398 0.94 LMNA (0.43) HTR7NPC1ALDH1A1CYP3A4MAPK1
SCHEMBL820403 0.93 HPGD (0.44) HTR7NPC1RAB9AFAAHALDH1A1
SCHEMBL820405 0.88 KDM4E (0.42) HTR7ALDH1A1LMNAKMT2AKDM4E
SCHEMBL820612 0.86 LMNA (0.47) NPC1RAB9AALDH1A1CYP3A4TSHR
SCHEMBL820811 0.84 HTR7 (0.40) HTR7NPC1ALDH1A1CYP3A4TSHR
SCHEMBL820185 0.83 PDPK1 (0.44) NPC1ALDH1A1CYP3A4LMNAHPGD
SCHEMBL820808 0.83 LMNA (0.42) NPC1ALDH1A1CYP3A4TSHRLMNA

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 1983/4885NPC1 4730/4885RAB9A 293/4885

“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.