SCHEMBL2991805

SCHEMBL2991805

CCCOc1ccnc(COC(C)=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CA9 Q16790 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
SCN1A P35498 2/20 0.34
SCN2A Q99250 2/20 0.34
SCN3A Q9NY46 2/20 0.34
KCNH2 Q12809 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAOA P21397 1/20 0.34
CYP2C19 P33261 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL2994158 0.93 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CA9MAPTHPGD
SCHEMBL2992903 0.92 LMNA (0.39) ALDH1A1MAPTCYP1A2CYP2D6CYP3A4
SCHEMBL2994298 0.91 LMNA (0.41) ALDH1A1SMN1; SMN2MAPTCYP3A4LMNA
SCHEMBL2989663 0.91 LMNA (0.41) ALDH1A1SMN1; SMN2MAPTCYP3A4LMNA
SCHEMBL2988743 0.91 LMNA (0.41) ALDH1A1SMN1; SMN2MAPTCYP3A4LMNA
SCHEMBL2990116 0.91 LMNA (0.41) ALDH1A1SMN1; SMN2MAPTCYP3A4LMNA
SCHEMBL2998988 0.91 LMNA (0.41) ALDH1A1SMN1; SMN2MAPTCYP3A4LMNA
SCHEMBL8503271 0.90 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL31515431 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL2986583 0.88 ALDH1A1 (0.38) IKBKBALDH1A1SMN1; SMN2HPGDKDM4E

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 6 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
CN-101553480-B Helicobacter pylori degerming agent with gastric acid secretion inhibiting effect ARIGEN PHARMACEUTICALS INC 2013-06-05 CN 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
CN-101553480-A Helicobacter pylori degerming agent with gastric acid secretion inhibiting effect ARIGEN PHARMACEUTICALS INC (JP) 2009-10-07 CN 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 IKBKB 537/4885ALDH1A1 1629/4885SMN1; SMN2 4682/4885

“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.