SCHEMBL5019482

SCHEMBL5019482

CCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)OCc3cc(N)cc(N)c3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.49
NPC1 O15118 3/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL13415603 0.91 ABCG2 (0.52) ABCG2NPC1LMNACYP1A2CYP3A4
SCHEMBL15313563 0.90 ABCG2 (0.47) ABCG2NPC1LMNACYP1A2CYP3A4
SCHEMBL1563300 0.89 CA12 (0.41) ABCG2LMNASAE1UBA2HDAC3
SCHEMBL679940 0.88 ABCG2 (0.41) ABCG2LMNASAE1UBA2HDAC3
SCHEMBL3138131 0.88 MAPT (0.51) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL3138143 0.88 MAPT (0.51) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL12786990 0.87 SAE1 (0.39) ABCG2LMNASAE1UBA2HDAC3
SCHEMBL16001652 0.87 CYSLTR1 (0.39) ABCG2LMNASAE1UBA2HDAC3
SCHEMBL16241091 0.87 CYSLTR1 (0.39) ABCG2LMNASAE1UBA2HDAC3
SCHEMBL864238 0.86 MAPT (0.49) ABCG2NPC1LMNACYP1A2CYP3A4

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 27 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-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-9505981-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display device CHI MEI CORPORATION (TW) 2016-11-29 US disclosed
EP-1966119-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-10-19 EP disclosed
US-20160282676-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF CHI MEI CORPORATION (TW) 2016-09-29 US disclosed
US-20160024386-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2016-01-28 US disclosed
US-20150361345-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2015-12-17 US disclosed
US-20150275092-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY DEVICE CHI MEI CORPORATION (TW) 2015-10-01 US disclosed
US-8173749-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-05-08 US disclosed
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2012-03-29 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-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
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 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 (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-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD ABCG2 4577/4885NPC1 4864/4885LMNA 2057/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD ABCG2 4577/4885NPC1 4864/4885LMNA 2057/4885

“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.