SCHEMBL20126282

SCHEMBL20126282

CCCCC1CCC(C(=O)Oc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 4/20 0.35
POLB P06746 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 5/20 0.33
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NAAA Q02083 1/20 0.31
KMT2A Q03164 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
SCHEMBL20126285 0.87 HPGD (0.33) HPGD
SCHEMBL20128694 0.83 TP53 (0.30) MAPTTP53POLB
SCHEMBL9405825 0.82 MAPT (0.46) MAPTGAATP53POLBNPC1
SCHEMBL9405823 0.82 MAPT (0.46) MAPTGAATP53POLBNPC1
SCHEMBL12737155 0.81 NPC1 (0.39) MAPTGAAPOLBNPC1HPGD
SCHEMBL12742038 0.81 NPC1 (0.39) MAPTGAAPOLBNPC1HPGD
SCHEMBL20126371 0.81 MEN1 (0.34) MAPTGAAKMT2A
SCHEMBL20126278 0.81 MAPT (0.37) MAPTGAATP53POLBHPGD
SCHEMBL9562770 0.80 NPC1 (0.45) MAPTGAAPOLBNPC1HPGD
SCHEMBL9562766 0.80 NPC1 (0.45) MAPTGAAPOLBNPC1HPGD

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 MAPT 3166/4885GAA 4752/4885TP53 2615/4885

“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.