SCHEMBL19024841

SCHEMBL19024841

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(=O)O)c2)cc1.NC(=O)c1ccc(C#Cc2ccc(C#Cc3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ PARP10 Q53GL7 3/20 0.40
▸ CYSLTR1 Q9Y271 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN11 Q06124 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ ACR P10323 1/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ LSS P48449 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
SCHEMBL19040076 0.90 THRB (0.45) HTTTHRBCYSLTR1MAPTPOLB
SCHEMBL25422525 0.90 HTT (0.41) HTTTHRBCYSLTR1MAPTPOLB
SCHEMBL28664513 0.89 HTT (0.40) HTTTHRBPARP10CYSLTR1MAPT
SCHEMBL6286882 0.89 HTT (0.48) HTTTHRBMAPTPOLBAPEX1
Benzamide SCHEMBL28664510 0.88 HTT (0.40) HTTTHRBPARP10CYSLTR1MAPT
SCHEMBL13649952 0.88 HTT (0.46) HTTTHRBCYSLTR1MAPTPOLB
SCHEMBL28678530 0.87 THRB (0.42) HTTTHRBCYSLTR1MAPTPOLB
SCHEMBL19024612 0.87 THRB (0.42) HTTTHRBCYSLTR1MAPTPOLB
SCHEMBL28660977 0.86 HTT (0.36) HTTTHRBPARP10CYSLTR1MAPT
Benzamide SCHEMBL28660975 0.85 THRB (0.40) HTTTHRBPARP10CYSLTR1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10071949-B2 Polymerizable liquid crystal compound, composition for optical film, and optical film, compensation film, antireflective film, and display device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-09-11 — — US disclosed
EP-3187566-B1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION FOR OPTICAL FILM, AND OPTICAL FILM, COMPENSATION FILM, ANTIREFLECTIVE FILM, AND DISPLAY DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-04-18 — — EP disclosed
EP-3187566-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION FOR OPTICAL FILM, AND OPTICAL FILM, COMPENSATION FILM, ANTIREFLECTIVE FILM, AND DISPLAY DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd (KR) 2017-07-05 — — EP disclosed
US-20170183286-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION FOR OPTICAL FILM, AND OPTICAL FILM, COMPENSATION FILM, ANTIREFLECTIVE FILM, AND DISPLAY DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-29 — — 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-10071949-B2 Polymerizable liquid crystal compound, composition for optical film, and optical film, compensation film, antireflective film, and display device including the same AQP1, TCOF1, SFXN1 HTT 3389/4885THRB 4818/4885PARP10 3506/4885
US-20170183286-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION FOR OPTICAL FILM, AND OPTICAL FILM, COMPENSATION FILM, ANTIREFLECTIVE FILM, AND DISPLAY DEVICE INCLUDING THE SAME AQP1, TCOF1, SFXN1 HTT 3389/4885THRB 4818/4885PARP10 3506/4885

“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.

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