SCHEMBL4886672

SCHEMBL4886672

COCOc1cccc(C(O)(C(=O)OC)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.44
CHRM3 P20309 6/20 0.39
CHRM2 P08172 5/20 0.39
CHRM1 P11229 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
CACNA1B Q00975 1/20 0.39
CHRM4 P08173 2/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM5 P08912 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL19770149 0.85 CACNA1B (0.54) KDM4EMEN1KMT2ACACNA1BFFAR1
SCHEMBL19782641 0.80 KCNN4 (0.43) KCNN4CHRM3CHRM2CHRM1MEN1
SCHEMBL1870824 0.79 KCNN4 (0.67) KCNN4CHRM3CHRM2CHRM1MEN1
SCHEMBL5417589 0.77 PKM (0.45) KDM4EKMT2ALMNACACNA1BFFAR1
SCHEMBL19770150 0.77 KCNN4 (0.51) KCNN4CHRM3CHRM2CHRM1MEN1
SCHEMBL18016307 0.77 KCNN4 (0.51) KCNN4CHRM3CHRM2CHRM1MEN1
SCHEMBL19770179 0.77 LMNA (0.52) KCNN4CHRM3CHRM2CHRM1MEN1
SCHEMBL18016308 0.77 CA12 (0.48) KDM4EMEN1POLBKMT2AALDH1A1
SCHEMBL20307313 0.77 CA12 (0.48) KDM4EMEN1POLBKMT2AALDH1A1
SCHEMBL29631401 0.77 CA12 (0.48) KDM4EMEN1POLBKMT2AALDH1A1

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-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
EP-1785421-A1 TROPAN COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient CHRM1, CHRM3, CHRM2 KCNN4 1428/4885CHRM3 2/4885CHRM2 3/4885

“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.