SCHEMBL20126170

SCHEMBL20126170

CCOc1ccc(-c2ccc(C(F)(F)Oc3ccc(C4CC(C)(C)N(OC)C(C)(C)C4)c(F)c3)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
PTGS2 P35354 2/20 0.33
FFAR4 Q5NUL3 2/20 0.32
FFAR1 O14842 1/20 0.32
HMOX1 P09601 1/20 0.30
PDK2 Q15119 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
CACNA1B Q00975 1/20 0.30
CCR6 P51684 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
SCHEMBL20126214 0.88 FFAR4 (0.36) GRM2PTGS2FFAR4FFAR1HMOX1
SCHEMBL20126335 0.88 PTGS2 (0.38) PTGS2FFAR4FFAR1HMOX1CACNA1B
SCHEMBL20126272 0.74 MAOB (0.35) FFAR1
SCHEMBL20126254 0.72 CPS1 (0.44)
SCHEMBL20126263 0.72 GPR119 (0.30)
SCHEMBL20126252 0.70 CCR6 (0.33) CCR6
SCHEMBL17365977 0.68 ALOX5AP (0.37) GRM2PTGS2FFAR4FFAR1ALOX5AP
SCHEMBL20126333 0.67 NQO1 (0.39) GRM2CACNA1B
SCHEMBL9221875 0.67 ALOX5AP (0.48) GRM2PTGS2FFAR4FFAR1HMOX1
SCHEMBL12623523 0.66 GRM2 (0.40) GRM2FFAR4

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 GRM2 2970/4885PTGS2 1129/4885FFAR4 295/4885

“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.