SCHEMBL16749047

SCHEMBL16749047

CC1(C)CC(c2ccc(-c3ccc(C4CC(C)(C)NC(C)(C)C4)cc3)cc2)CC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
RAD52 P43351 1/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
ESR2 Q92731 1/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 1/20 0.33
BRD4 O60885 1/20 0.33
EZH2 Q15910 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
SCHEMBL16749046 0.93 KDM1A (0.42) KDM1AALDH1A1KMT2ALMNAMEN1
SCHEMBL16749144 0.89 ALDH1A1 (0.38) KDM1AALDH1A1KMT2ALMNAMEN1
SCHEMBL20126330 0.88 ALDH1A1 (0.44) KDM1AALDH1A1KMT2AMEN1MAPT
SCHEMBL17931282 0.87 ESR2 (0.40) KDM1AALDH1A1KMT2ALMNAMEN1
SCHEMBL16749135 0.86 KCNH2 (0.40) KDM1AESR2KCNH2
SCHEMBL16749142 0.86 KDM1A (0.38) KDM1AALDH1A1KMT2ALMNAMEN1
SCHEMBL18931580 0.86 KDM1A (0.32) KDM1A
SCHEMBL20126102 0.85 NISCH (0.39) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL25259299 0.83 CYP19A1 (0.38) KDM1AALDH1A1KMT2ALMNAMEN1
SCHEMBL6023464 0.83 ESR2 (0.52) KDM1AESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072885-B1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2018-12-19 EP disclosed
US-10053425-B2 Piperidine derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-08-21 US disclosed
US-9969935-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-05-15 US disclosed
US-9969935-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-05-15 US disclosed
US-20160376505-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-12-29 US disclosed
US-20160289189-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2016-10-06 US disclosed
US-20160289189-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2016-10-06 US disclosed
US-20160289189-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2016-10-06 US disclosed
EP-3072885-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2016-09-28 EP disclosed
EP-3072885-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2016-09-28 EP disclosed
WO-2015076077-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2015-05-28 WO 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 (3 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-20160376505-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE VCL, LASP1, NLK KDM1A 3943/4885ALDH1A1 4366/4885KMT2A 2787/4885
US-10053425-B2 Piperidine derivative, liquid crystal composition and liquid crystal display device PLD1, DRD1, PLD2 KDM1A 453/4885ALDH1A1 196/4885KMT2A 1862/4885
US-20160289189-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT PLD1, DRD1, CCND1 KDM1A 635/4885ALDH1A1 256/4885KMT2A 2055/4885

“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.