SCHEMBL2987015

SCHEMBL2987015

CCCCOc1cc[n+]([O-])c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.40
CYP2C19 P33261 6/20 0.40
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 5/20 0.36
CYP2D6 P10635 5/20 0.36
CYP19A1 P11511 3/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
PTGES O14684 4/20 0.34
ALOX5 P09917 4/20 0.34
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
LTA4H P09960 2/20 0.33
ESR1 P03372 1/20 0.33
MCHR1 Q99705 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL2983769 0.95 MAPT (0.36) CYP2C9CYP2C19CYP1A2CYP3A4LTA4H
SCHEMBL2985373 0.93 MEN1 (0.38) CYP3A4LTA4HESR1MCHR1TLR8
SCHEMBL2990341 0.93 MEN1 (0.38) CYP3A4LTA4HESR1MCHR1TLR8
SCHEMBL2992892 0.93 MEN1 (0.38) CYP3A4LTA4HESR1MCHR1TLR8
SCHEMBL2984245 0.93 MEN1 (0.38) CYP3A4LTA4HESR1MCHR1TLR8
SCHEMBL2984114 0.93 MEN1 (0.38) CYP3A4LTA4HESR1MCHR1TLR8
SCHEMBL2992927 0.91 MAPT (0.37) CYP2C9CYP2C19CYP1A2CA12CA1
SCHEMBL8081110 0.85 TUBB1 (0.33)
SCHEMBL3891060 0.85 ALDH1A1 (0.32) CYP2C9PPARGPPARA
SCHEMBL8548230 0.83 NCF1 (0.35)

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 CYP2C9 1342/4885CYP2C19 599/4885CYP1A2 2314/4885

“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.