SCHEMBL16749147

SCHEMBL16749147

CC1(C)CC(c2ccc(CCc3ccc(C4CC(C)(C)NC(C)(C)C4)cc3)cc2)CC(C)(C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
SPHK1 Q9NYA1 3/20 0.36
KDM1A O60341 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
RAD52 P43351 1/20 0.33
GFER P55789 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EZH2 Q15910 1/20 0.33
TSHR P16473 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
SCHEMBL16749144 0.95 ALDH1A1 (0.38) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL20126288 0.89 SPHK1 (0.52) ALDH1A1KDM4ELMNASPHK1
SCHEMBL16749146 0.88 ALDH1A1 (0.36) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL16749046 0.88 KDM1A (0.42) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL18931609 0.87 ALDH1A1 (0.34) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL20126102 0.87 NISCH (0.39) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL18931587 0.83 ALDH1A1 (0.33) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL19998064 0.83 ALDH1A1 (0.32) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL16749047 0.82 KDM1A (0.39) ALDH1A1NPSR1GAAKDM4ELMNA
SCHEMBL20126355 0.82 ALDH1A1 (0.33) ALDH1A1NPSR1GAAKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20160289189-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT PLD1, DRD1, CCND1 ALDH1A1 256/4885NPSR1 573/4885GAA 4581/4885

“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.