SCHEMBL2989663

SCHEMBL2989663

CCCCCCCCCOc1ccnc(COC(C)=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PRKCA P17252 4/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR5A1 Q13285 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL2998988 1.00 LMNA (0.41) LMNAMEN1KMT2ANR1I2CHRM2
SCHEMBL2994298 1.00 LMNA (0.41) LMNAMEN1KMT2ANR1I2CHRM2
SCHEMBL2988743 1.00 LMNA (0.41) LMNAMEN1KMT2ANR1I2CHRM2
SCHEMBL2990116 1.00 LMNA (0.41) LMNAMEN1KMT2ANR1I2CHRM2
SCHEMBL2992903 0.99 LMNA (0.39) LMNAMEN1KMT2ANR1I2CHRM2
SCHEMBL2994158 0.95 ALDH1A1 (0.42) LMNAKMT2ACYP3A4MAPTHTR2B
SCHEMBL2991805 0.91 IKBKB (0.40) LMNAKMT2ACYP3A4MAPTHTR2B
SCHEMBL1734068 0.90 ALDH1A1 (0.36) LMNAKMT2AMAPTHTR2BPRKCA
SCHEMBL1735523 0.90 ALDH1A1 (0.36) LMNAKMT2AMAPTHTR2BPRKCA
SCHEMBL1734018 0.90 ALDH1A1 (0.36) LMNAKMT2AMAPTHTR2BPRKCA

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 LMNA 4875/4885MEN1 3075/4885KMT2A 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.