SCHEMBL6841594

SCHEMBL6841594

CCCc1ccc(C(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.49
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
THRB P10828 2/20 0.44
ACACB O00763 2/20 0.43
ACACA Q13085 1/20 0.43
PLK1 P53350 1/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6839675 0.90 ALDH1A1 (0.50) MMP8CYP4F2CYP4A11THRBPLK1
SCHEMBL6839732 0.87 CYSLTR2 (0.51) THRBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL271585 0.87 MMP8 (0.59) MMP8KMT2AMEN1ALDH1A1LMNA
SCHEMBL7619857 0.86 MMP8 (0.46) MMP8CYP4F2CYP4A11THRBF2
SCHEMBL6839623 0.85 MMP8 (0.51) MMP8PLK1L3MBTL1KMT2AMEN1
SCHEMBL12315605 0.84 PTGS2 (0.48) CYP4F2CYP4A11THRBACACBACACA
SCHEMBL11623145 0.82 MMP8 (0.49) MMP8CYP4F2CYP4A11L3MBTL1KMT2A
SCHEMBL27354703 0.82 MMP8 (0.49) MMP8F2F10KMT2AMEN1
SCHEMBL4068942 0.81 MMP8 (0.54) MMP8KMT2AMEN1ALDH1A1LMNA
SCHEMBL9391853 0.81 POLB (0.49) MMP8CYP4F2CYP4A11KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394272-B2 1,3-dioxane compound having fluorine atom in axial position, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-07-19 US disclosed
US-9394272-B2 1,3-dioxane compound having fluorine atom in axial position, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-07-19 US disclosed
US-20150368225-A1 1,3-DIOXANE COMPOUND HAVING FLUORINE ATOM IN AXIAL POSITION, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 US disclosed
US-20150368225-A1 1,3-DIOXANE COMPOUND HAVING FLUORINE ATOM IN AXIAL POSITION, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 US disclosed
US-6759103-B2 NEMATIC, CHOLESTERIC OR CHIRAL SMECTIC LIQUID-CRYSTAL MIXTURES HAVING HIGH ABSOLUTE DIELECTRIC ANISOTROPY VALUES AND WITH A FAVORABLE VISCOSITY/CLEARING POINT RELATIONSHIP; PHOTOSTABILITY; HEAT AND ULTRAVIOLET RADIATION RESISTANCE CLARIANT FINANCI (BVI) LIMITED (VG) 2004-07-06 US disclosed
US-20030091756-A1 Nematic, cholesteric or chiral smectic liquid-crystal mixtures having high absolute dielectric anisotropy values and with a favorable viscosity/clearing point relationship; photostability; heat and ultraviolet radiation resistance CLARIANT INTERNATIONAL LTD. 2003-05-15 US disclosed
US-4676924-A Liquid crystalline isothiocyanates with dioxane ring and liquid crystalline admixtures containing same WOJSKOWA AKADEMIA TECHNICZNA (PL) 1987-06-30 US disclosed
EP-0170082-A2 Liquid crystalline isothiocyanates with a dioxane ring and liquid crystalline admixtures containing the same Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1986-02-05 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 (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-20150368225-A1 1,3-DIOXANE COMPOUND HAVING FLUORINE ATOM IN AXIAL POSITION, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, HAX1, RCC1 MMP8 1915/4885CYP4F2 584/4885CYP4A11 1024/4885
US-20030091756-A1 Nematic, cholesteric or chiral smectic liquid-crystal mixtures having high absolute dielectric anisotropy values and with a favorable viscosity/clearing point relationship; photostability; heat and ultraviolet radiation resistance SCO2, CNOT1, HCFC1 MMP8 3654/4885CYP4F2 285/4885CYP4A11 540/4885

“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.