SCHEMBL5839487

SCHEMBL5839487

COC(=O)CCOCC(COCCC(=O)OC)(COCCC(=O)OC)COCCC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 3/20 0.39
CA12 O43570 3/20 0.39
CA14 Q9ULX7 3/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TET2 Q6N021 1/20 0.35
THRB P10828 1/20 0.35
SLC1A1 P43005 1/20 0.32
CA7 P43166 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
SCHEMBL14969719 0.92 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL20429066 0.92 TSHR (0.44) TSHRKMT2AMEN1LMNACA12
SCHEMBL15697261 0.89 TSHR (0.43) TSHRKMT2AMEN1LMNACA12
SCHEMBL15697254 0.89 TSHR (0.43) TSHRKMT2AMEN1LMNACA12
SCHEMBL22811004 0.87 TSHR (0.40) TSHRKMT2AMEN1LMNACA12
SCHEMBL26558796 0.87 TSHR (0.40) TSHRKMT2AMEN1LMNACA12
SCHEMBL7754985 0.86 TSHR (0.39) TSHRKMT2AMEN1LMNACA12
SCHEMBL437917 0.84 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL13132085 0.84 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL4060095 0.83 TSHR (0.67) TSHRKMT2AMEN1LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126567-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-20 WO disclosed
US-20230323207-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 US disclosed
US-20230323207-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 US disclosed
EP-4008759-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM Merck Patent GmbH (DE) 2022-06-08 EP disclosed
US-20220162504-A1 Polymerisable Liquid Crystal Material and Polymerised Liquid Crystal Film MERCK PATENT GMBH (DE) 2022-05-26 US disclosed
US-10913897-B2 Compounds and liquid-crystalline medium MERCK PATENT GMBH (DE) 2021-02-09 US disclosed
US-10907100-B2 Compounds and liquid-crystalline medium MERCK PATENT GMBH (DE) 2021-02-02 US disclosed
EP-3354709-B1 COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-09-25 EP disclosed
US-20180216005-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-08-02 US disclosed
US-20180216006-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-08-02 US disclosed
US-20180216006-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-08-02 US disclosed
US-20180216005-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-08-02 US disclosed
EP-3354710-A1 COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2018-08-01 EP disclosed
US-7094943-B2 Solution phase biopolymer synthesis Köster, Hubert (US) 2006-08-22 US disclosed
US-7038103-B2 Solution phase biopolymer synthesis HUBERT KOSTER (CH) 2006-05-02 US disclosed
US-20020016451-A1 SOLUTION PHASE BIOPOLYMER SYNTHESIS CAPROTEC BIOANALYTICS GMBH (DE) 2002-02-07 US disclosed
US-20020007048-A1 Solution Phase Biopolymer Synthesis CAPROTEC BIOANALYTICS GMBH (DE) 2002-01-17 US disclosed
EP-1073668-A2 SOLUTION PHASE BIOPOLYMER SYNTHESIS Köster, Hubert (US) 2001-02-07 EP disclosed
WO-1999055718-A2 SOLUTION PHASE BIOPOLYMER SYNTHESIS KOESTER HUBERT (US) 1999-11-04 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 (6 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-10913897-B2 Compounds and liquid-crystalline medium VIM, NEFM, AQP1 TSHR 4296/4885KMT2A 4009/4885MEN1 545/4885
US-10907100-B2 Compounds and liquid-crystalline medium VIM, NEFM, AQP1 TSHR 4035/4885KMT2A 3990/4885MEN1 580/4885
US-20180216006-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM VIM, NEFM, AQP1 TSHR 4035/4885KMT2A 3990/4885MEN1 580/4885
US-20180216005-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM VIM, NEFM, AQP1 TSHR 4296/4885KMT2A 4009/4885MEN1 545/4885
US-20020007048-A1 Solution Phase Biopolymer Synthesis RNGTT, SGMS1, SPNS2 TSHR 4614/4885KMT2A 3438/4885MEN1 2353/4885
US-20020016451-A1 SOLUTION PHASE BIOPOLYMER SYNTHESIS RNGTT, SGMS1, SPNS2 TSHR 4614/4885KMT2A 3438/4885MEN1 2353/4885

“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.