SCHEMBL20126245

SCHEMBL20126245

CCOC1CCC(C(=O)Oc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
GPR119 Q8TDV5 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32
HCRTR2 O43614 2/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
HPGD P15428 1/20 0.32
CA2 P00918 1/20 0.31
ELANE P08246 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
SCHEMBL20126281 0.80 CA2 (0.35) ALDH1A1L3MBTL1TDP1HTTKMT2A
SCHEMBL20126263 0.79 GPR119 (0.30) GPR119
SCHEMBL20126326 0.79 HCRTR2 (0.36) GPR119HCRTR2
SCHEMBL20126254 0.77 CPS1 (0.44) GPR119
SCHEMBL20126284 0.75 HPGD (0.34) ALDH1A1L3MBTL1TDP1HTTKMT2A
SCHEMBL14767264 0.74 HPGD (0.39) L3MBTL1TDP1HTTKMT2ASMN1; SMN2
SCHEMBL14766272 0.73 HPGD (0.39) GPR119HCRTR2HPGD
SCHEMBL9842435 0.72 APP (0.40) ALDH1A1L3MBTL1TDP1HTTKMT2A
SCHEMBL20126282 0.71 MAPT (0.35) HTTKMT2APOLBHPGD
SCHEMBL20126335 0.70 PTGS2 (0.38) ALDH1A1KMT2A

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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
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 ALDH1A1 47/4885GPR119 3774/4885L3MBTL1 1506/4885

“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.