SCHEMBL803493

SCHEMBL803493

C=C(C)C(=O)OCCCCOC(=O)C1CCC(CCC)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.54
▸ THRB P10828 1/20 0.41
▸ POLB P06746 2/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ FKBP1A P62942 3/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ TLR4 O00206 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
SCHEMBL13400994 0.97 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3478277 0.95 TSHR (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3478193 0.93 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13400993 0.92 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18503070 0.91 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13400996 0.89 TSHR (0.55) TSHRTHRBPOLBHTTMAPT
SCHEMBL15706230 0.89 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12205511 0.89 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10535835 0.87 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL20664401 0.87 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT

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 397 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551723-B1 ADDITIVES FOR LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2023-09-20 — — EP disclosed
US-11441073-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-09-13 — — US disclosed
US-11377596-B2 Liquid-crystalline media MERCK PATENT GMBH (DE) 2022-07-05 — — US disclosed
US-11359141-B2 Additives for liquid crystal mixtures MERCK PATENT GMBH (DE) 2022-06-14 — — US disclosed
EP-3331965-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2022-01-05 — — EP disclosed
US-11214736-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-01-04 — — US disclosed
EP-3257916-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2021-11-17 — — EP disclosed
US-20210277310-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2021-09-09 — — US disclosed
EP-3660130-B1 LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2021-08-04 — — EP disclosed
US-11072742-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2021-07-27 — — US disclosed
WO-2011088882-A1 POLYMERIZABLE COMPOUNDS AND LIQUID CRYSTAL MEDIA MERCK PATENT GMBH (DE) 2011-07-28 — — WO disclosed
WO-2011035842-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2011-03-31 — — WO disclosed
WO-2010133278-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2010-11-25 — — WO disclosed
US-20100272925-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT (DE) 2010-10-28 — — US disclosed
US-20100272925-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT (DE) 2010-10-28 — — US disclosed
EP-2243812-A2 Liquid crystal display Merck Patent GmbH (DE) 2010-10-27 — — EP disclosed
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications MERCK PATENT GMBH (DE) 2010-04-29 — — US disclosed
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications MERCK PATENT GMBH (DE) 2010-04-29 — — US disclosed
EP-2087067-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS Merck Patent GmbH (DE) 2009-08-12 — — EP disclosed
WO-2008061606-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2008-05-29 — — 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 (2 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-20100272925-A1 LIQUID-CRYSTAL DISPLAY KLK3, BPHL, LPXN TSHR 4669/4885THRB 4756/4885POLB 1907/4885
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications CUTA, MC1R, CTSG TSHR 3118/4885THRB 4144/4885POLB 1350/4885

“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.

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