SCHEMBL2986583

SCHEMBL2986583

CCOc1ccnc(COC(C)=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
CREBBP Q92793 1/20 0.38
IKBKB O14920 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GLA P06280 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2991805 0.88 IKBKB (0.40) ALDH1A1LMNAHSD17B10SMN1; SMN2HPGD
SCHEMBL2994158 0.87 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2HPGDCYP3A4
SCHEMBL8503271 0.87 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2HPGDCYP3A4
SCHEMBL2984300 0.86 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2992903 0.86 LMNA (0.39) ALDH1A1LMNACYP3A4TSHRNPC1
SCHEMBL31515431 0.85 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2HPGDNPC1
SCHEMBL2998988 0.85 LMNA (0.41) ALDH1A1LMNASMN1; SMN2CYP3A4TSHR
SCHEMBL2988743 0.85 LMNA (0.41) ALDH1A1LMNASMN1; SMN2CYP3A4TSHR
SCHEMBL2989663 0.85 LMNA (0.41) ALDH1A1LMNASMN1; SMN2CYP3A4TSHR
SCHEMBL2994298 0.85 LMNA (0.41) ALDH1A1LMNASMN1; SMN2CYP3A4TSHR

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 ALDH1A1 1629/4885LMNA 4875/4885HSD17B10 626/4885

“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.