SCHEMBL12943471

SCHEMBL12943471

CCCC1COC2(CCCCC2)O1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
GAA P10253 1/20 0.50
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR1A P08908 5/20 0.40
ADRA1D P25100 4/20 0.40
ADRA1B P35368 4/20 0.40
ADRA1A P35348 3/20 0.39
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 1/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
RIN1 Q13671 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13381193 0.98 PABPC1 (0.51) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL13381192 0.94 PABPC1 (0.47) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL11177497 0.89 PABPC1 (0.51) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL11175752 0.89 PABPC1 (0.51) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL877280 0.87 PABPC1 (0.49) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL11161053 0.86 PABPC1 (0.49) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL11163095 0.86 PABPC1 (0.49) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL13381099 0.86 PABPC1 (0.59) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL18885118 0.86 PABPC1 (0.59) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL11158688 0.84 ALDH1A1 (0.50) PABPC1CTDSP1GAATMEM97SIGMAR1

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-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-20090292120-A1 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-26 US 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 (3 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-20090292120-A1 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI PABPC1 3132/4885CTDSP1 4375/4885GAA 9/4885
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI PABPC1 3132/4885CTDSP1 4375/4885GAA 9/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 PABPC1 4258/4885CTDSP1 2879/4885GAA 4884/4885

“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.