SCHEMBL7084698

SCHEMBL7084698

CCC(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.56
CTNNB1 P35222 5/20 0.55
WNT3A P56704 5/20 0.55
NPC1 O15118 1/20 0.54
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC2 Q92769 1/20 0.50
FASN P49327 1/20 0.49
AR P10275 1/20 0.49
ENPP2 Q13822 1/20 0.48
CYP17A1 P05093 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47

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
SCHEMBL28752855 0.88 ALDH1A1 (0.53) PTGS2CTNNB1WNT3AMAPTSMN1; SMN2
SCHEMBL28790574 0.87 CTNNB1 (0.65) CTNNB1WNT3AMAPTCYP1A2CYP3A4
SCHEMBL19391065 0.83 PTGS2 (0.60) PTGS2CTNNB1WNT3ANPC1MAPT
SCHEMBL31574489 0.83 PTGS2 (0.60) PTGS2CTNNB1WNT3ANPC1MAPT
SCHEMBL27583671 0.81 NPC1 (0.66) PTGS2CTNNB1WNT3ANPC1MAPT
SCHEMBL22220936 0.79 PTGS2 (0.56) PTGS2CTNNB1WNT3ANPC1MAPT
SCHEMBL17742727 0.78 ALDH1A1 (0.64) CTNNB1WNT3AMAPTSMN1; SMN2HDAC2
SCHEMBL10389933 0.76 SMN1; SMN2 (0.83) NPC1MAPTSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL5850255 0.76 NPC1 (0.79) PTGS2NPC1CA12CA1CA2
SCHEMBL31504065 0.76 NPC1 (0.62) PTGS2NPC1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203959-A1 Novel modulators of potassium channels 4SC AG (DE) 2003-10-30 US disclosed
WO-2003074047-A1 INDOLE DERIVATIVES AS MODULATORS OF POTASSIUM CHANNELS 4SC AG (DE) 2003-09-12 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-20030203959-A1 Novel modulators of potassium channels HCN3, KCNN3, KCNN1 PTGS2 3620/4885CTNNB1 1958/4885WNT3A 2149/4885

“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.