SCHEMBL16749045

SCHEMBL16749045

CC1(C)CC(c2ccc(-c3ccc(C4CC(C)(C)NC(C)(C)C4)c(F)c3)cc2)CC(C)(C)N1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM1A O60341 2/20 0.31
APP P05067 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
P2RY14 Q15391 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18351246 0.93 L3MBTL1 (0.33) L3MBTL1APPCYP3A4CYP2D6CYP2C9
SCHEMBL16749130 0.92 L3MBTL1 (0.38) L3MBTL1MAPTATMNPSR1ALDH1A1
SCHEMBL13483857 0.88 MAPT (0.40) L3MBTL1MAPTATMNPSR1CYP2C19
SCHEMBL16749064 0.88 L3MBTL1 (0.37) L3MBTL1MAPTKDM1AALDH1A1
SCHEMBL16749128 0.85 L3MBTL1 (0.34) L3MBTL1KDM1AAPPCYP3A4CYP2D6
SCHEMBL16749133 0.85 L3MBTL1 (0.34) L3MBTL1KDM1AALDH1A1
SCHEMBL20126334 0.85 KDM4E (0.42) L3MBTL1ATMNPSR1
SCHEMBL16749127 0.83 SLC6A2 (0.32) L3MBTL1CYP2D6
SCHEMBL20126357 0.82 RARB (0.37) L3MBTL1MAPTATMNPSR1ALDH1A1
SCHEMBL16749047 0.82 KDM1A (0.39) L3MBTL1MAPTNPSR1KDM1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265343-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT JNC CORPORATION (JP) 2023-08-24 US disclosed
US-20230265343-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT JNC CORPORATION (JP) 2023-08-24 US disclosed
US-20200270525-A1 LIQUID CRYSTAL COMPOSITION AND LIGHT SWITCHING DEVICE JNC CORPORATION (JP) 2020-08-27 US disclosed
US-20200199451-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-06-25 US 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
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 L3MBTL1 376/4885MAPT 27/4885ATM 1738/4885
US-10053425-B2 Piperidine derivative, liquid crystal composition and liquid crystal display device PLD1, DRD1, PLD2 L3MBTL1 671/4885MAPT 2799/4885ATM 3987/4885
US-20160289189-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT PLD1, DRD1, CCND1 L3MBTL1 878/4885MAPT 3013/4885ATM 4208/4885

“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.