SCHEMBL23587604

SCHEMBL23587604

O=C(OC1CCCC1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
NAAA Q02083 2/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP19A1 P11511 2/20 0.36

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
SCHEMBL1296389 0.97 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL3839481 0.97 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL2679235 0.95 EPHX1 (0.45) EPHX1FABP7FABP5CA12CA1
SCHEMBL19570757 0.92 CHRM2 (0.46) EPHX1FABP7FABP5CA12CA1
SCHEMBL11038809 0.92 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
Iodide SCHEMBL28946784 0.92 EPHX1 (0.43) EPHX1FABP7FABP5CA12CA1
SCHEMBL24595803 0.92 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL17061159 0.92 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL17061158 0.92 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1
SCHEMBL5953668 0.92 EPHX1 (0.48) EPHX1FABP7FABP5CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198237-A1 PIPERIDINES AS MENIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-07-01 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-20210198237-A1 PIPERIDINES AS MENIN INHIBITORS MEN1, WFS1, BRCA1 EPHX1 3855/4885FABP7 3812/4885FABP5 4314/4885

“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.