SCHEMBL20128693

SCHEMBL20128693

COC1CCC(C(=O)Oc2ccc(C3CC(C)(C)N(O)C(C)(C)C3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4B Q07343 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
HSD11B1 P28845 2/20 0.32
POLB P06746 1/20 0.31
GRM1 Q13255 1/20 0.31

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
SCHEMBL20128906 0.84 GAA (0.33) GAAHTT
SCHEMBL12823179 0.82 HPGD (0.40) HPGDL3MBTL1MEN1RAB9AKMT2A
SCHEMBL12821970 0.82 HPGD (0.40) HPGDL3MBTL1MEN1RAB9AKMT2A
SCHEMBL20128612 0.80 GAA (0.31) GAAHTT
SCHEMBL12719433 0.79 HPGD (0.43) HPGDL3MBTL1MEN1RAB9AKMT2A
SCHEMBL12823142 0.79 HPGD (0.43) HPGDL3MBTL1MEN1RAB9AKMT2A
SCHEMBL12823095 0.78 MEN1 (0.35) HPGDL3MBTL1MEN1RAB9AKMT2A
SCHEMBL20128590 0.77 HTT (0.42) HPGDL3MBTL1KMT2AGAAHTT
SCHEMBL20126282 0.77 MAPT (0.35) HPGDKMT2AGAAHTTPOLB
SCHEMBL20126285 0.76 HPGD (0.33) HPGD

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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 HPGD 276/4885L3MBTL1 1506/4885MEN1 4808/4885

“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.