SCHEMBL5069945

SCHEMBL5069945

CCCC1CCC(C2CCC(C(=O)Cl)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.46
CYP2C9 P11712 2/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
IDH1 O75874 1/20 0.33

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
SCHEMBL3627200 1.00 TLR4 (0.46) TLR4CYP2C9POLBHPGDMAPT
SCHEMBL9405948 1.00 TLR4 (0.46) TLR4CYP2C9POLBHPGDMAPT
SCHEMBL1674729 1.00 TLR4 (0.46) TLR4CYP2C9POLBHPGDMAPT
SCHEMBL4482942 0.94 CYP2C9 (0.41) TLR4CYP2C9POLBHPGDMAPT
SCHEMBL7522154 0.94 CYP2C9 (0.41) TLR4CYP2C9POLBHPGDMAPT
SCHEMBL10737849 0.89 POLB (0.49) TLR4CYP2C9POLBHPGDMAPT
SCHEMBL10737844 0.89 POLB (0.49) TLR4CYP2C9POLBHPGDMAPT
SCHEMBL9347924 0.87 PKM (0.50) TLR4CYP2C9POLBHPGDMAPT
SCHEMBL17799607 0.87 PKM (0.50) TLR4CYP2C9POLBHPGDMAPT
SCHEMBL6859266 0.87 PKM (0.50) TLR4CYP2C9POLBHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072450-B Synthesis method of allyl alcohol derivative 江苏广域化学有限公司 2022-09-02 CN disclosed
US-10457628-B2 Polymerizable compound, polymerizable composition, film, and half mirror for displaying projection image FUJIFILM CORPORATION (JP) 2019-10-29 US disclosed
EP-2468740-B1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES JNC CORP (JP) 2017-08-02 EP disclosed
US-9663716-B2 Tetrahydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-30 US disclosed
US-9663716-B2 Tetrahydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-30 US disclosed
US-20160318845-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, FILM, AND HALF MIRROR FOR DISPLAYING PROJECTION IMAGE FUJIFILM CORPORATION (JP) 2016-11-03 US disclosed
US-20160318845-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, FILM, AND HALF MIRROR FOR DISPLAYING PROJECTION IMAGE FUJIFILM CORPORATION (JP) 2016-11-03 US disclosed
US-20120145958-A1 TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-06-14 US disclosed
US-20120145958-A1 TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-06-14 US disclosed
WO-2008091090-A1 NOVEL LIQUID CRYSTAL COMPOUND CONTAINING SULFONE GROUP, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME, AND OPTICAL FILM USING THE SAME LIQUID CRYSTAL COMPOSITION LG CHEM, LTD. (KR) 2008-07-31 WO disclosed
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
US-5248447-A 2,3-difluorohydroquinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-28 US disclosed
US-4694098-A WIDE MESOMORPHIC RANGE HITACHI, LTD. (JP) 1987-09-15 US disclosed
EP-0058981-B1 COLORLESS LIQUID CRYSTALLINE COMPOUNDS Hitachi, Ltd. (JP) 1986-01-22 EP disclosed
US-4564694-A CYCLOHEXYL AND PHENYL RING-CONTAINING ALIPHATIC ETHERS HITACHI, LTD. (JP) 1986-01-14 US disclosed
US-4487954-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1984-12-11 US disclosed
EP-0058981-A2 Colorless liquid crystalline compounds Hitachi, Ltd. (JP) 1982-09-01 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 (3 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-10457628-B2 Polymerizable compound, polymerizable composition, film, and half mirror for displaying projection image PYM1, C5, C1S TLR4 2097/4885CYP2C9 4764/4885POLB 2073/4885
US-20160318845-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, FILM, AND HALF MIRROR FOR DISPLAYING PROJECTION IMAGE PYM1, C5, C1S TLR4 2048/4885CYP2C9 4770/4885POLB 2088/4885
US-20120145958-A1 TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, CCND1, CCND2 TLR4 2383/4885CYP2C9 733/4885POLB 3242/4885

“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.