SCHEMBL805447

SCHEMBL805447

C=C(C)c1cc(C(=O)OC)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
XDH P47989 2/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FUT7 Q11130 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
ALDH1A1 P00352 2/20 0.41
BCL2L1 Q07817 1/20 0.39

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
SCHEMBL12807357 0.85 KDM4E (0.57) GAAKDM4ETDP1LMNAXDH
SCHEMBL8308995 0.84 TNFRSF1A (0.43) GAAKDM4ETDP1LMNAXDH
SCHEMBL755528 0.84 GAA (0.59) GAAKDM4ETDP1LMNAXDH
SCHEMBL2240647 0.80 NOTUM (0.48) GAAKDM4ETDP1LMNAXDH
SCHEMBL1406483 0.80 GAA (0.50) GAAKDM4ETDP1LMNAXDH
SCHEMBL10268453 0.78 ALOX5 (0.43) GAAKDM4ETDP1LMNACA1
SCHEMBL30924510 0.78 GAA (0.52) GAAKDM4ETDP1LMNAXDH
SCHEMBL24821894 0.76 GAA (0.50) GAAKDM4ETDP1LMNAXDH
SCHEMBL14216739 0.75 ALDH1A1 (0.44) GAATDP1LMNAPOLBCA2
SCHEMBL14216738 0.75 CNR2 (0.43) GAATDP1LMNAALDH1A1SMN1; SMN2

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 48 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-20130056680-A1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 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-20120326085-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-27 US disclosed
US-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-27 US disclosed
US-20120268706-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 US disclosed
US-20120248374-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-10-04 US disclosed
US-8277684-B2 Liquid-crystal medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-02 US disclosed
US-20120228549-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-09-13 US disclosed
US-20120224124-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-06 US disclosed
US-7425355-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-09-16 US disclosed
US-20080193681-A1 Liquid-Crystal Medium MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-7361288-B2 Components for high-frequency technology MERCK PATENT GESELLSCHAFT MIT BESSCHRANKTER HAFTUNG (DE) 2008-04-22 US disclosed
US-20080088789-A1 Liquid-crystalline medium MERCK PATENT GMBH 2008-04-17 US disclosed
US-7351453-B2 Mixture of polar compounds of biphenyls, cyclohexane and phenyl substituted biphenyl; fast response time, a low threshold voltage, low temperature stability MERCK PATENT GMBH (DE) 2008-04-01 US disclosed
US-7344761-B2 Liquid-crystalline compounds MERCK PATENT GESELLASCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-03-18 US disclosed
US-7335403-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-02-26 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-20070080324-A1 mixture of polar compounds of negative dielectric anisotropy; electro-optical display with active-matrix addressing based on the ECB(electrically controlled birefringence), PALC (positive charge assisted leakage current) or IPS ( in plane switching) effect MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070034828-A1 Containing 3 directly connected rings: a fluorophenyl ring, a tetrahydropyran ring and either another tetrahydropyran ring or a 1,3-dioxane ring; electrooptical displays; 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 (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-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM NEFM, VIM, PLG GAA 2524/4885KDM4E 3104/4885TDP1 1510/4885
US-20120248374-A1 LIQUID CRYSTALLINE MEDIUM LBR, CTNND1, VIM GAA 3873/4885KDM4E 4448/4885TDP1 2053/4885
US-20120268706-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM NEFM, VIM, FLNB GAA 4098/4885KDM4E 3089/4885TDP1 2064/4885
US-20120326085-A1 LIQUID-CRYSTALLINE MEDIUM TLL1, LAS1L, LOXL1 GAA 2992/4885KDM4E 4139/4885TDP1 2329/4885
US-20120224124-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID CRYSTAL DISPLAYS VCL, LPXN, LCP1 GAA 3052/4885KDM4E 3333/4885TDP1 2659/4885
US-20080088789-A1 Liquid-crystalline medium F12, CHRM1, NEFM GAA 1863/4885KDM4E 4803/4885TDP1 1742/4885

“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.