SCHEMBL7682222

SCHEMBL7682222

CCOC(=O)C(C(=O)OCC)C(c1ccccc1)(c1ccccc1)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.45
PIN1 Q13526 2/20 0.42
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MMP8 P22894 1/20 0.39
KIF11 P52732 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 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
SCHEMBL12264169 0.86 MEN1 (0.53) PIN1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL12264172 0.84 CASP1 (0.44) KCNN4PIN1NPC1MEN1KMT2A
SCHEMBL28210809 0.78 MEN1 (0.49) PIN1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL27690656 0.76 PIN1 (0.47) PIN1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL18623933 0.75 PIN1 (0.40) KCNN4PIN1NPC1MEN1KMT2A
SCHEMBL7207416 0.74 PIN1 (0.49) PIN1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL27540519 0.74 PIN1 (0.49) PIN1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1625075 0.73 PIN1 (0.39) PIN1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL17168999 0.72 NPC1 (0.40) KCNN4PIN1NPC1MEN1KMT2A
SCHEMBL21677216 0.72 NPC1 (0.40) KCNN4PIN1NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease BRUGNARA CARLO (US) 2002-08-29 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 (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-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO KCNN4 18/4885PIN1 1004/4885KCNE1 941/4885

“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.