SCHEMBL805448

SCHEMBL805448

C=C(C)c1cc(C(CCCC)C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)cc(C(C)(C)C)c1O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
GAA P10253 2/20 0.31
XBP1 P17861 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IDH1 O75874 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL10457852 0.94
SCHEMBL10037921 0.94
SCHEMBL23544539 0.92 GAA (0.35) NR5A2NR5A1GAAXBP1ATM
SCHEMBL172351 0.92 GAA (0.35) NR5A2NR5A1GAAXBP1ATM
SCHEMBL12431272 0.91 NR5A2 (0.30) NR5A2NR5A1
SCHEMBL16803235 0.89 GAA (0.34) NR5A2NR5A1GAAXBP1ATM
SCHEMBL17791350 0.88 GAA (0.34) NR5A2NR5A1GAAXBP1ATM
SCHEMBL9971643 0.87 KCNH2 (0.32) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL13677623 0.87 GAA (0.32) NR5A2NR5A1GAAXBP1ATM
SCHEMBL12345496 0.87 GAA (0.32) NR5A2NR5A1GAAXBP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399073-B2 Liquid-crystal medium MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-19 US disclosed
US-8349415-B2 Liquid-crystalline medium and liquid-crystal display having high twist MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-01-08 US disclosed
US-20120273723-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-01 US disclosed
US-8277907-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2012-10-02 US disclosed
US-20120069289-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 US disclosed
US-20110315924-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY HAVING HIGH TWIST MERCK PATENT GMBH MIT BESCHRAENKTER HAFTUNG (DD) 2011-12-29 US disclosed
US-20110253938-A1 LIQUID-CRYSTALLINE MEDIUM KLASEN-MEMMER MELANIE 2011-10-20 US disclosed
US-20110248216-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2011-10-13 US disclosed
US-7803434-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-09-28 US disclosed
US-7767280-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-03 US disclosed
US-7442419-B2 Comprising one or more dielectrically positive compounds having a dielectric anisotropy of more than 3; twisted Nematic (TN) or Plane Switching (IPS) type; low rotational viscosity; polycyclo cyclohexyl fluorocarbon benzyl ether derivatives, electrooptics MERCK PATENT GMBH (DE) 2008-10-28 US disclosed
US-7419706-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-02 US disclosed
US-7419705-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-09-02 US disclosed
US-20080191166-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-14 US disclosed
US-20080191167-A1 Liquid-crystalline medium MERCK PATENT GMBH 2008-08-14 US disclosed
US-7361388-B2 Liquid-crystalline compounds having a tetrahydropyran ring MERCK PATENT GMBH (DE) 2008-04-22 US disclosed
US-7361288-B2 Components for high-frequency technology MERCK PATENT GESELLSCHAFT MIT BESSCHRANKTER HAFTUNG (DE) 2008-04-22 US disclosed
US-20070269614-A1 Containing at least two nitrile-free mesogenic compounds, one of which contains rings including a phenyl ring llinked by at least one -CF2O- group; electrooptical dispalys HECKMEIER MICHAEL 2007-11-22 US disclosed
US-7189440-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-13 US disclosed
US-20070034830-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications. MERCK PATENT GMBH (DE) 2007-02-15 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 (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-20120273723-A1 LIQUID CRYSTAL MEDIUM CHRM1, L1CAM, ZYX NR5A2 2729/4885NR5A1 1166/4885GAA 4199/4885
US-20120069289-A1 LIQUID CRYSTAL DISPLAY LPXN, VCL, ACP3 NR5A2 3718/4885NR5A1 1407/4885GAA 3585/4885

“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.