SCHEMBL20126335

SCHEMBL20126335

CCOc1ccc(-c2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)c(F)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
HMOX1 P09601 3/20 0.36
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 1/20 0.35
CPS1 P31327 2/20 0.34
CACNA1B Q00975 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SSTR5 P35346 1/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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 0.96 FFAR4 (0.36) PTGS2HMOX1FFAR4FFAR1CPS1
SCHEMBL20126170 0.88 GRM2 (0.35) PTGS2HMOX1FFAR4FFAR1CACNA1B
SCHEMBL20126272 0.81 MAOB (0.35) FFAR1CPS1MEN1KMT2ABRD4
SCHEMBL20126254 0.79 CPS1 (0.44) CPS1KDM4ECAMKK1CAMKK2
SCHEMBL20126195 0.76 KDM1A (0.33) NPSR1KDM4E
SCHEMBL20126354 0.74 CHKA (0.30)
SCHEMBL20126317 0.74 KDM4E (0.32) NPSR1KDM4E
SCHEMBL20126333 0.74 NQO1 (0.39) CACNA1BNPSR1KDM4EMEN1ALDH1A1
SCHEMBL20126204 0.71 NPSR1 (0.33) NPSR1KDM4EMAPT
SCHEMBL20126263 0.71 GPR119 (0.30)

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 PTGS2 1129/4885HMOX1 1119/4885FFAR4 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.