SCHEMBL19040076

SCHEMBL19040076

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(=O)Oc3ccc(C#Cc4ccc(C#Cc5ccccc5)cc4)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.45
▸ HTT P42858 3/20 0.40
▸ CYSLTR1 Q9Y271 1/20 0.40
▸ LMNA P02545 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ NFKB1 P19838 3/20 0.38
▸ NFKB2 Q00653 3/20 0.38
▸ RELA Q04206 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 7/20 0.37
▸ LSS P48449 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL19024612 0.93 THRB (0.42) THRBHTTCYSLTR1LMNANPC1
SCHEMBL28678530 0.93 THRB (0.42) THRBHTTCYSLTR1LMNANPC1
SCHEMBL816478 0.92 HTT (0.44) THRBHTTLMNANPC1NFKB1
SCHEMBL816300 0.92 HTT (0.44) THRBHTTLMNANPC1NFKB1
SCHEMBL817078 0.92 HTT (0.44) THRBHTTLMNANPC1NFKB1
SCHEMBL7078171 0.91 THRB (0.43) THRBHTTCYSLTR1LMNANPC1
SCHEMBL25228516 0.91 MAPT (0.40) THRBHTTLMNANPC1NFKB1
SCHEMBL19024841 0.90 HTT (0.41) THRBHTTCYSLTR1MAPTLSS
SCHEMBL19024753 0.90 THRB (0.42) THRBHTTCYSLTR1LMNAMAPT
SCHEMBL28661059 0.90 THRB (0.42) THRBHTTCYSLTR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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 4818/4885HTT 3389/4885CYSLTR1 2789/4885

“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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