SCHEMBL172351

SCHEMBL172351

CCCCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
IDH1 O75874 1/20 0.34
CACNA1A O00555 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNB1 Q02641 1/20 0.33
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
F2R P25116 2/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 2/20 0.32
KCNH2 Q12809 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 2/20 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
SCHEMBL23544539 1.00 GAA (0.35) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL17791350 0.95 GAA (0.34) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL16803235 0.95 GAA (0.34) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL13677623 0.94 GAA (0.32) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL12345496 0.94 GAA (0.32) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL13992714 0.94 GAA (0.35) GAAPKMHTTIDH1CACNA1A
SCHEMBL9971643 0.93 KCNH2 (0.32) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL2813206 0.92 GAA (0.31) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL805448 0.92 NR5A2 (0.32) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL13647666 0.92 CYP2D6 (0.46) GAAXBP1ATMNPSR1L3MBTL1

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 1198 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
EP-4400561-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-07-17 EP disclosed
WO-2024132893-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed
WO-2024126567-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-20 WO disclosed
EP-3924447-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2024-01-24 EP disclosed
EP-4306614-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2024-01-17 EP disclosed
US-11873438-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-7175891-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-02-13 US disclosed
US-7175891-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-02-13 US disclosed
EP-1431369-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2007-01-31 EP disclosed
WO-2007009636-A1 S-INDACENE AND INDENO[5,6-D][1,3]DIOXOL-DERIVATIVES AND USE THEREOF AS COMPONENTS OF LIQUID-CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2007-01-25 WO disclosed
EP-1746079-A2 Fluorinated biphenyl compounds for use in liquid crystal compositions Merck Patent GmbH (DE) 2007-01-24 EP disclosed
US-20070001149-A1 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2007-01-04 US disclosed
EP-1310474-B1 Fluorinated biphenyl compounds and their use in liquid crystal compositions MERCK PATENT GMBH (DE) 2007-01-03 EP disclosed
EP-1365001-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2007-01-03 EP disclosed
US-20040164279-A1 Solid melt blended phosphite composites WELLS FARGO BANK, NATIONAL ASSOCIATION 2004-08-26 US disclosed
US-5733973-A High solids binder compositions containing OH-functional polyacrylate graft copolymers BAYER AKTIENGESELLSCHAFT (DE) 1998-03-31 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-20040164279-A1 Solid melt blended phosphite composites PHOSPHO1, MTAP, INPPL1 GAA 2474/4885XBP1 3043/4885ATM 625/4885

“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.