SCHEMBL20126167

SCHEMBL20126167

COc1ccc(C2CCC(c3ccc(C4CC(C)(C)NC(C)(C)C4)c(F)c3)CO2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
LMNA P02545 1/20 0.32
MAOB P27338 1/20 0.32
TACR1 P25103 2/20 0.32
HPSE Q9Y251 2/20 0.31
BACE1 P56817 1/20 0.31
HTR2C P28335 2/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL16749132 0.90 OPRL1 (0.30)
SCHEMBL20126212 0.87 HTR2C (0.38) KDM4EMEN1KMT2AGAASLC6A2
SCHEMBL16749128 0.77 L3MBTL1 (0.34) HTR2C
SCHEMBL16749064 0.76 L3MBTL1 (0.37) MEN1KMT2ALMNAMAPT
SCHEMBL20126334 0.76 KDM4E (0.42) KDM4EMAOBATM
SCHEMBL20126324 0.74 HCRTR2 (0.34)
SCHEMBL20126345 0.72 OPRL1 (0.38)
SCHEMBL20126268 0.71 MAOB (0.45) MAOB
SCHEMBL20126201 0.71 HCRTR2 (0.33)
SCHEMBL20126208 0.71 DRD2 (0.45) KDM4EMEN1KMT2AGAAMAOB

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 KDM4E 3031/4885MEN1 4808/4885KMT2A 2766/4885

“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.