SCHEMBL20126352

SCHEMBL20126352

CCCCc1ccc(-c2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPL P40238 10/20 0.38
HSD11B1 P28845 2/20 0.34
RARB P10826 2/20 0.34
UCHL3 P15374 1/20 0.31
CHKA P35790 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL20126359 0.76 RARB (0.43) HSD11B1RARBHRH3
SCHEMBL21609935 0.74 MPL (0.50) MPLHSD11B1RARBNISCH
SCHEMBL12716132 0.73 RARB (0.40) MPLRARB
SCHEMBL12716382 0.72 FFAR4 (0.37) MPLRARBCHKA
SCHEMBL20126349 0.72 SPHK1 (0.34) NISCHHRH3
SCHEMBL12733862 0.72 RARB (0.39) RARB
SCHEMBL9493130 0.72 MPL (0.48) MPLHSD11B1RARBNISCH
SCHEMBL9493895 0.72 RARB (0.55) MPLHSD11B1RARB
SCHEMBL23624539 0.71 CASP3 (0.50) MPLRARBHRH3
SCHEMBL12733949 0.71 HTR2A (0.43) RARB

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 MPL 4118/4885HSD11B1 1635/4885RARB 1215/4885

“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.