SCHEMBL19024612

SCHEMBL19024612

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(=O)OCc3ccc(C#Cc4ccc(C#Cc5ccccc5)cc4)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PTPN2 P17706 2/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL28678530 1.00 THRB (0.42) THRBTSHRHTTCYSLTR1MAPT
SCHEMBL28661059 0.97 THRB (0.42) THRBTSHRHTTCYSLTR1MAPT
SCHEMBL19024753 0.97 THRB (0.42) THRBTSHRHTTCYSLTR1MAPT
SCHEMBL12567532 0.95 THRB (0.45) THRBTSHRHTTCYSLTR1MAPT
SCHEMBL19040076 0.93 THRB (0.45) THRBTSHRHTTCYSLTR1MAPT
SCHEMBL8914125 0.92 HTT (0.40) THRBTSHRHTTMAPTTDP1
SCHEMBL8915738 0.92 HTT (0.40) THRBTSHRHTTMAPTTDP1
SCHEMBL8914045 0.92 HTT (0.40) THRBTSHRHTTMAPTTDP1
SCHEMBL8911984 0.92 HTT (0.40) THRBTSHRHTTMAPTTDP1
SCHEMBL8913468 0.92 HTT (0.40) THRBTSHRHTTMAPTTDP1

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 6 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
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
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 THRB 4818/4885TSHR 4559/4885HTT 3389/4885
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 THRB 4818/4885TSHR 4559/4885HTT 3389/4885

“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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