SCHEMBL16749050

SCHEMBL16749050

CC1(C)CC(CCCCc2ccc(CCCCC3CC(C)(C)NC(C)(C)C3)cc2)CC(C)(C)N1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARA Q07869 3/20 0.39
PPARG P37231 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
NMT1 P30419 1/20 0.33

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
SCHEMBL16749134 0.90 TSHR (0.40) TSHRALDH1A1NPSR1PPARAGAA
SCHEMBL16749051 0.87 TSHR (0.44) TSHRALDH1A1NPSR1GAAKDM4E
SCHEMBL16749056 0.82 TSHR (0.34) TSHRALDH1A1NPSR1PPARAPPARG
SCHEMBL818726 0.80 TSHR (0.36) TSHRGAAKDM4ELMNARECQL
SCHEMBL10621109 0.80 TSHR (0.36) TSHRGAAKDM4ELMNARECQL
SCHEMBL16749057 0.76 TSHR (0.40) TSHRALDH1A1NPSR1GAAKDM4E
SCHEMBL11527432 0.75 ALDH1A1 (0.44) TSHRALDH1A1NPSR1GAAKDM4E
SCHEMBL6701258 0.73 TSHR (0.39) TSHRALDH1A1NPSR1GAAKDM4E
SCHEMBL15707671 0.73 ALDH1A1 (0.39) TSHRALDH1A1GAA
SCHEMBL98369 0.73 SIGMAR1 (0.42) TSHRGAA

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 TSHR 3337/4885ALDH1A1 256/4885NPSR1 573/4885

“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.