SCHEMBL17507679

SCHEMBL17507679

CC1(C)CC(OC(=O)c2ccc(COc3ccc(C(=O)OC4CC(C)(C)NC(C)(C)C4)cc3)cc2)CC(C)(C)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
EZH2 Q15910 2/20 0.58
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
RECQL P46063 1/20 0.49
MAOB P27338 7/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAOA P21397 1/20 0.47
SLC2A1 P11166 1/20 0.46
PARP10 Q53GL7 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPRC P08575 1/20 0.44

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
SCHEMBL17507742 0.85 GAA (0.57) GAAEZH2MEN1MAPTKMT2A
SCHEMBL653430 0.85 GAA (0.84) GAAEZH2MEN1KMT2APOLB
SCHEMBL17507835 0.84 GAA (0.56) GAAEZH2MEN1MAPTKMT2A
SCHEMBL8838255 0.83 GAA (0.68) GAAEZH2MEN1MAPTKMT2A
SCHEMBL17507685 0.83 GAA (0.68) GAAEZH2MEN1MAPTKMT2A
SCHEMBL28000710 0.82 GAA (0.71) GAAEZH2MEN1MAPTKMT2A
SCHEMBL17507805 0.81 GAA (0.48) GAAEZH2MEN1MAPTKMT2A
SCHEMBL17507595 0.81 GAA (0.77) GAAEZH2MEN1KMT2APOLB
SCHEMBL8838274 0.81 GAA (0.64) GAAEZH2MEN1MAPTKMT2A
SCHEMBL17507672 0.80 GAA (0.68) GAAEZH2MEN1MAPTKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982731-B1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-11-08 EP disclosed
US-9643924-B2 Piperidine derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-09 US disclosed
US-9643924-B2 Piperidine derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-09 US disclosed
US-20160039758-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-11 US disclosed
US-20160039758-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-11 US disclosed
EP-2982731-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2016-02-10 EP 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-20160039758-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, CCND1 GAA 4581/4885EZH2 1677/4885MEN1 3100/4885

“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.