SCHEMBL4159832

SCHEMBL4159832

CCCCCC1CCC(C2CCC(OC=O)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NAAA Q02083 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 2/20 0.31
POLB P06746 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
CCR2 P41597 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL4170126 0.95 CYP1A2 (0.42) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL504003 0.95 CYP1A2 (0.41) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL5862504 0.93 HTT (0.40) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL1896640 0.93 HTT (0.40) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL11290481 0.93 HTT (0.40) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL8975284 0.93 HTT (0.40) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL1893345 0.90 CYP1A2 (0.47) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL4159287 0.88 TLR4 (0.35) CYP2C9HPGD
SCHEMBL8735525 0.88 CYP1A2 (0.36) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL7723142 0.87 CYP1A2 (0.35) CYP1A2PKMMEN1KMT2AHTT

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
EP-2566934-B1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-12-07 EP disclosed
EP-3093328-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2016-11-16 EP disclosed
EP-2630217-B1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-10-26 EP disclosed
EP-2985334-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2016-02-17 EP disclosed
EP-2649153-B1 LIQUID CRYSTAL MEDIUM AND ELECTROOPTIC DISPLAY MERCK PATENT GMBH (DE) 2014-12-17 EP disclosed
EP-2652088-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-15 EP disclosed
EP-2722380-A2 Liquid crystal medium, method for the stabilisation thereof and liquid crystal display Merck Patent GmbH (DE) 2014-04-23 EP disclosed
WO-2013124040-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-08-29 WO disclosed
US-8293146-B2 Optical film and phase difference plate, and liquid crystal compound FUJIFILM CORPORATION (JP) 2012-10-23 US disclosed
US-20090159857-A1 OPTICAL FILM AND PHASE DIFFERENCE PLATE, AND LIQUID CRYSTAL COMPOUND FUJIFILM CORPORATION (JP) 2009-06-25 US disclosed
WO-2007091716-A1 OPTICAL FILM AND PHASE DIFFERENCE PLATE, AND LIQUID CRYSTAL COMPOUND FUJIFILM CORPORATION (JP) 2007-08-16 WO disclosed
US-4323504-A Cyclohexyl cyclohexyl dioxane liquid crystalline compounds and admixture containing same TIMEX CORPORATION (US) 1982-04-06 US disclosed
US-4323473-A Cyclohexyl cyclohexyl dioxane liquid crystalline compounds and admixture containing same TIMEX CORPORATION (US) 1982-04-06 US 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-20090159857-A1 OPTICAL FILM AND PHASE DIFFERENCE PLATE, AND LIQUID CRYSTAL COMPOUND NOM1, CRYZ, CNN2 CYP1A2 3757/4885PKM 4809/4885MEN1 1129/4885

“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.