SCHEMBL20126252

SCHEMBL20126252

COc1ccc(C(F)(F)Oc2ccc(C3CC(C)(C)NC(C)(C)C3)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.33
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
PKM P14618 1/20 0.31
HTR2A P28223 1/20 0.31
EZH2 Q15910 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
CPS1 P31327 2/20 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
SCHEMBL20126266 0.82 L3MBTL1 (0.39) CCR6KCNH2ATML3MBTL1MAOB
SCHEMBL20126334 0.80 KDM4E (0.42) ATML3MBTL1MAOBMAOA
SCHEMBL20126268 0.78 MAOB (0.45) MAOBEZH2
SCHEMBL20126212 0.77 HTR2C (0.38) ATML3MBTL1MAOBMAOAKMT2A
SCHEMBL16749130 0.71 L3MBTL1 (0.38) KCNH2ATML3MBTL1PKMKMT2A
SCHEMBL20126167 0.70 KDM4E (0.34) ATMMAOBKMT2AMEN1
SCHEMBL20126170 0.70 GRM2 (0.35) CCR6
SCHEMBL16749064 0.70 L3MBTL1 (0.37) L3MBTL1PKMKMT2AMEN1
SCHEMBL15706223 0.68 CA1 (0.50) CCR6L3MBTL1MAOBPKM
SCHEMBL18931540 0.66 L3MBTL1 (0.33) L3MBTL1

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 CCR6 2100/4885KCNH2 1274/4885ATM 4139/4885

“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.