SCHEMBL820182

SCHEMBL820182

CCCCC(C(=O)OCCC)[C@H](CC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
PTGES O14684 1/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AR P10275 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 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
SCHEMBL820810 0.90 MGAM (0.46) MAPTLMNAGAAPOLBACHE
SCHEMBL820612 0.88 LMNA (0.47) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL820398 0.86 LMNA (0.43) ALDH1A1LMNAMAPK1POLBMEN1
SCHEMBL820808 0.85 LMNA (0.42) MAPTALDH1A1LMNAGAAPOLB
SCHEMBL820402 0.84 L3MBTL1 (0.55) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL820191 0.81 HTR7 (0.45) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL820228 0.81 LMNA (0.49) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL820185 0.81 PDPK1 (0.44) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL820203 0.80 HTR7 (0.48) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL820613 0.80 NPC1 (0.45) LMNASMN1; SMN2MAPK1MEN1KMT2A

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 ALOX5 953/4885MAPT 4868/4885ALDH1A1 1375/4885

“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.