SCHEMBL2990341

SCHEMBL2990341

CCCCCCCOc1cc[n+]([O-])c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR5A1 Q13285 1/20 0.38
ESR1 P03372 2/20 0.36
S1PR3 Q99500 1/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNA3 P22001 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
SCHEMBL2984245 1.00 MEN1 (0.38) MEN1MAPTKMT2ANR1I2LMNA
SCHEMBL2984114 1.00 MEN1 (0.38) MEN1MAPTKMT2ANR1I2LMNA
SCHEMBL2992892 1.00 MEN1 (0.38) MEN1MAPTKMT2ANR1I2LMNA
SCHEMBL2985373 1.00 MEN1 (0.38) MEN1MAPTKMT2ANR1I2LMNA
SCHEMBL2983769 0.98 MAPT (0.36) MEN1MAPTKMT2ANR1I2LMNA
SCHEMBL2987015 0.93 CYP2C9 (0.40) CYP3A4ESR1LTA4HMCHR1TLR8
SCHEMBL2992927 0.88 MAPT (0.37) MEN1MAPTKMT2AHTTLTA4H
SCHEMBL1735039 0.86 LOX (0.36) LMNAMAPK1TLR8
SCHEMBL1734021 0.86 LOX (0.36) LMNAMAPK1TLR8
SCHEMBL1733367 0.86 LOX (0.36) LMNAMAPK1TLR8

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-8778975-B2 Helicobacter pylori eradicating agent having inhibitory activity on gastric acid secretion Link Geonomics, Inc. (JP) 2014-07-15 US disclosed
EP-2103608-B1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION ARIGEN PHARMACEUTICALS INC (JP) 2012-08-29 EP disclosed
US-20100173944-A1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION ARIGEN PHARMACEUTICALS, INC. (JP) 2010-07-08 US disclosed
EP-2103608-A1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION Arigen, Pharmaceuticals, Inc. (JP) 2009-09-23 EP 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-20100173944-A1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION GIPR, PGC, SLC10A2 MEN1 3075/4885MAPT 4670/4885KMT2A 4468/4885

“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.