SCHEMBL679305

SCHEMBL679305

Nc1ccc(-c2ccc(N)cc2COC(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCC(F)(F)C(F)(F)F)cc3)cc2)c(COC(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCC(F)(F)C(F)(F)F)cc3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
PPARA Q07869 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MET P08581 1/20 0.35
PRSS1 P07477 1/20 0.34
ACR P10323 1/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2138504 0.93 MAPT (0.39) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL28648623 0.93 MAPT (0.39) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL30086264 0.93 ABCG2 (0.40) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL18112629 0.93 ABCG2 (0.40) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL679372 0.93 ABCG2 (0.40) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL2138428 0.92 MAPT (0.38) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL28657773 0.92 MAPT (0.38) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL2140710 0.88 MAPT (0.38) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL28664683 0.88 MAPT (0.38) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL678505 0.88 MAPT (0.40) MAPTKDM4EABCG2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9976088-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element having the same CHI MEI CORPORATION (TW) 2018-05-22 US disclosed
US-9976088-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element having the same CHI MEI CORPORATION (TW) 2018-05-22 US disclosed
US-20170362381-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2017-12-21 US disclosed
US-20170362381-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2017-12-21 US disclosed
US-9644147-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element CHI MEI CORPORATION (TW) 2017-05-09 US disclosed
US-9644147-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element CHI MEI CORPORATION (TW) 2017-05-09 US disclosed
US-20170029703-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THE SAME CHI MEI CORPORATION (TW) 2017-02-02 US disclosed
US-20170029703-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THE SAME CHI MEI CORPORATION (TW) 2017-02-02 US disclosed
US-9505981-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display device CHI MEI CORPORATION (TW) 2016-11-29 US disclosed
US-9505981-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display device CHI MEI CORPORATION (TW) 2016-11-29 US disclosed
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2012-03-29 US disclosed
EP-2308827-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed
EP-2308826-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed
EP-2305632-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-06 EP disclosed
EP-2305631-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-06 EP disclosed
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 US disclosed
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 US disclosed
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 US disclosed
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 US disclosed
EP-1860094-A1 Photocrosslinkable materials Rolic AG (CH) 2007-11-28 EP 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 (3 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-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD MAPT 295/4885KDM4E 1831/4885ABCG2 4577/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD MAPT 295/4885KDM4E 1831/4885ABCG2 4577/4885
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 MAPT 159/4885KDM4E 2018/4885ABCG2 3643/4885

“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.