SCHEMBL5429944

SCHEMBL5429944

Cc1onc(-c2ccccc2)c1-c1ccc(OCCO)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.65
PTGS1 P23219 5/20 0.65
MT-CO2 P00403 3/20 0.54
ATM Q13315 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
LMNA P02545 1/20 0.53
CA3 P07451 1/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA2B P18089 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
SLC6A2 P23975 1/20 0.53
PDE4A P27815 1/20 0.53
ADORA1 P30542 1/20 0.53

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
SCHEMBL14562172 0.95 PTGS2 (0.61) PTGS2PTGS1MT-CO2ATMCA12
SCHEMBL4586989 0.81 PTGS2 (0.88) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL2277199 0.81 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14562174 0.80 PTGS2 (0.52) PTGS2PTGS1MT-CO2ATMCA12
SCHEMBL5427092 0.78 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6251637 0.78 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL25149515 0.78 PTGS2 (0.86) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL15554439 0.78 FKBP1A (0.60) LMNAMAPT
SCHEMBL15542605 0.78 POLB (0.58) PTGS2PTGS1LMNAMAPTTDP1
SCHEMBL5424034 0.78 PTGS2 (0.49) PTGS2PTGS1MT-CO2ATMCA12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
EP-1675585-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2006-07-05 EP disclosed
WO-2005037271-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2005-04-28 WO 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-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 PTGS2 594/4885PTGS1 558/4885MT-CO2 1536/4885

“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.