SCHEMBL17123545

SCHEMBL17123545

C=CC(=O)OCCCCOC(=O)[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 1/20 0.47
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 2/20 0.37
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 2/20 0.31

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
SCHEMBL12510608 1.00 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17763322 0.98 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17763314 0.98 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17763315 0.98 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17763323 0.98 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21868805 0.95 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21868816 0.94 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18372756 0.93 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21869215 0.92 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17123537 0.92 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3023816-B1 COMPOSITION FOR MANUFACTURING OPTICAL DEVICE HAVING NEGATIVE OPTICAL DISPERSION AND OPTICAL ANISOTROPIC BODY MANUFACTURED THEREFROM LG CHEMICAL LTD (KR) 2018-10-31 EP 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
EP-3053909-B1 INVERSE-WAVELENGTH DISPERSIBLE COMPOUND, AND INVERSE-WAVELENGTH DISPERSIBLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY COMPRISING SAME LG CHEMICAL LTD (KR) 2018-01-31 EP disclosed
US-9638849-B2 Liquid crystal compound, optical film, and method for producing optical film FUJIFILM CORPORATION (JP) 2017-05-02 US disclosed
US-9638849-B2 Liquid crystal compound, optical film, and method for producing optical film FUJIFILM CORPORATION (JP) 2017-05-02 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
EP-3053909-A1 INVERSE-WAVELENGTH DISPERSIBLE COMPOUND, AND INVERSE-WAVELENGTH DISPERSIBLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY COMPRISING SAME LG Chem, Ltd. (KR) 2016-08-10 EP 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-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
US-20150277007-A1 LIQUID CRYSTAL COMPOUND, OPTICAL FILM, AND METHOD FOR PRODUCING OPTICAL FILM FUJIFILM CORPORATION (JP) 2015-10-01 US disclosed
US-20150277007-A1 LIQUID CRYSTAL COMPOUND, OPTICAL FILM, AND METHOD FOR PRODUCING OPTICAL FILM FUJIFILM CORPORATION (JP) 2015-10-01 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-20150277007-A1 LIQUID CRYSTAL COMPOUND, OPTICAL FILM, AND METHOD FOR PRODUCING OPTICAL FILM CFL1, AUP1, PDE6G TSHR 4721/4885ALDH1A1 1848/4885CYP3A4 2656/4885

“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.