SCHEMBL17771968

SCHEMBL17771968

N#Cc1ccc(CC(=O)c2ccc(OCCCCCCOC(=O)C=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ MMP3 P08254 3/20 0.42
▸ MMP2 P08253 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL21376945 0.90 RAB9A (0.47) RAB9AALDH1A1MAPTHDAC1HDAC2
SCHEMBL25699829 0.80 TSHR (0.51) ALDH1A1HTTGAAHRH2HRH1
SCHEMBL13767448 0.80 RARB (0.59) RAB9AALDH1A1MAPTHDAC1HDAC2
SCHEMBL14562517 0.80 THRB (0.49) RAB9AALDH1A1MAPTHDAC1HDAC2
SCHEMBL6738597 0.76 GSK3B (0.63) RAB9AALDH1A1MAPTHTTGSK3B
SCHEMBL19789608 0.76 THRB (0.44) RAB9AALDH1A1MAPTHDAC1HDAC2
SCHEMBL13427412 0.76 THRB (0.49) RAB9AALDH1A1MAPTHDAC1HDAC2
SCHEMBL21336519 0.75 RAB9A (0.51) RAB9AALDH1A1MAPTHDAC1HDAC2
SCHEMBL6207604 0.74 RAB9A (0.59) RAB9AALDH1A1MAPTHDAC1HDAC2
SCHEMBL6210030 0.74 RAB9A (0.59) RAB9AALDH1A1MAPTHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023800-B2 Composition for manufacturing optical elements with negative optical dispersion, and optically anisotropic body manufactured therefrom LG CHEM, LTD. (KR) 2018-07-17 — — US disclosed
US-10023800-B2 Composition for manufacturing optical elements with negative optical dispersion, and optically anisotropic body manufactured therefrom LG CHEM, LTD. (KR) 2018-07-17 — — US disclosed
US-9850196-B2 Compounds having negative optical dispersion, negative optical dispersion composition comprising the compounds, and optically anisotropic body comprising the composition LG CHEM, LTD. (KR) 2017-12-26 — — US disclosed
US-9850196-B2 Compounds having negative optical dispersion, negative optical dispersion composition comprising the compounds, and optically anisotropic body comprising the composition LG CHEM, LTD. (KR) 2017-12-26 — — US disclosed
US-9505979-B2 Polymerizable liquid crystal compounds, liquid crystal composition comprising the compounds, and optical film comprising the composition LG CHEM, LTD. (KR) 2016-11-29 — — US disclosed
US-9505979-B2 Polymerizable liquid crystal compounds, liquid crystal composition comprising the compounds, and optical film comprising the composition LG CHEM, LTD. (KR) 2016-11-29 — — US disclosed
US-20160208171-A1 COMPOSITION FOR MANUFACTURING OPTICAL ELEMENTS WITH NEGATIVE OPTICAL DISPERSION, AND OPTICALLY ANISOTROPIC BODY MANUFACTURED THEREFROM LG CHEM, LTD. (KR) 2016-07-21 — — US disclosed
US-20160208171-A1 COMPOSITION FOR MANUFACTURING OPTICAL ELEMENTS WITH NEGATIVE OPTICAL DISPERSION, AND OPTICALLY ANISOTROPIC BODY MANUFACTURED THEREFROM LG CHEM, LTD. (KR) 2016-07-21 — — US disclosed
US-20160200662-A1 COMPOUNDS HAVING NEGATIVE OPTICAL DISPERSION, NEGATIVE OPTICAL DISPERSION COMPOSITION COMPRISING THE COMPOUNDS, AND OPTICALLY ANISOTROPIC BODY COMPRISING THE COMPOSITION (As Amended) LG CHEM, LTD. (KR) 2016-07-14 — — US disclosed
US-20160200662-A1 COMPOUNDS HAVING NEGATIVE OPTICAL DISPERSION, NEGATIVE OPTICAL DISPERSION COMPOSITION COMPRISING THE COMPOUNDS, AND OPTICALLY ANISOTROPIC BODY COMPRISING THE COMPOSITION (As Amended) LG CHEM, LTD. (KR) 2016-07-14 — — US disclosed
US-20160200977-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITION COMPRISING THE COMPOUNDS, AND OPTICAL FILM COMPRISING THE COMPOSITION (As Amended) LG CHEM, LTD. (KR) 2016-07-14 — — US disclosed
US-20160200977-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITION COMPRISING THE COMPOUNDS, AND OPTICAL FILM COMPRISING THE COMPOSITION (As Amended) LG CHEM, LTD. (KR) 2016-07-14 — — US disclosed
EP-3023816-A1 COMPOSITION FOR MANUFACTURING OPTICAL DEVICE HAVING NEGATIVE OPTICAL DISPERSION AND OPTICAL ANISOTROPIC BODY MANUFACTURED THEREFROM LG Chem, Ltd. (KR) 2016-05-25 — — 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 (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-20160200662-A1 COMPOUNDS HAVING NEGATIVE OPTICAL DISPERSION, NEGATIVE OPTICAL DISPERSION COMPOSITION COMPRISING THE COMPOUNDS, AND OPTICALLY ANISOTROPIC BODY COMPRISING THE COMPOSITION (As Amended) ZW10, OCIAD2, INF2 RAB9A 2629/4885ALDH1A1 2071/4885MAPT 260/4885

“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.

Send feedback