SCHEMBL427889

SCHEMBL427889

CCCCOc1cccc(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2C9 P11712 2/20 0.52
TDP1 Q9NUW8 2/20 0.49
MCHR1 Q99705 1/20 0.45
GRM2 Q14416 2/20 0.45
FAAH O00519 8/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2D6 P10635 1/20 0.43

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
SCHEMBL8753757 0.94 L3MBTL1 (0.56) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL30625031 0.94 L3MBTL1 (0.56) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL2511831 0.93 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL8234319 0.93 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL8746453 0.93 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL7781687 0.93 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL8746459 0.93 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL4826935 0.93 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL8216509 0.90 L3MBTL1 (0.50) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL6000380 0.90 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102603496-A Method for synthesizing 1-butoxy-2,3-difluorobenzene PANJIN XINGFU CHEMICAL CO LTD 2012-07-25 CN claimed
CN-114231293-B Negative dielectric liquid crystal composition and application thereof 重庆汉朗精工科技有限公司 2023-11-10 CN disclosed
CN-110799627-B 2, 3-dihydrobenzothiophene derivatives 默克专利股份有限公司 2023-07-07 CN disclosed
US-11174432-B2 2,3-dihydrobenzothiophene derivatives MERCK PATENT GMBH (DE) 2021-11-16 US disclosed
EP-3645662-B1 2,3-DIHYDROBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2021-03-24 EP disclosed
EP-3645662-A1 2,3-DIHYDROBENZOTHIOPHENE DERIVATIVES Merck Patent GmbH (DE) 2020-05-06 EP disclosed
US-20200123444-A1 2,3-DIHYDROBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2020-04-23 US disclosed
CN-110799627-A 2, 3-dihydrobenzothiophene derivatives 默克专利股份有限公司 2020-02-14 CN disclosed
WO-2019002196-A1 2,3-DIHYDROBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2019-01-03 WO disclosed
CN-105218328-A A kind of dielectric negative liquid crystal compound and preparation method thereof and application JIANGSU HECHENG ADVANCED MATERIALS CO LTD 2016-01-06 CN disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 US disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 US disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 US disclosed
EP-1835009-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME Dainippon Ink and Chemicals, Incorporated (JP) 2007-09-19 EP disclosed
US-7255900-B2 Fluorinated heterocycles and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2007-08-14 US disclosed
CN-101003468-A Method for preparing difluoro alkyl ether benzene KANGPENG CHEMICAL CO LTD SHANG (CN) 2007-07-25 CN disclosed
US-20050258399-A1 Fluorinated heterocycles and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-11-24 US disclosed
EP-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 WO 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 (4 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-20200123444-A1 2,3-DIHYDROBENZOTHIOPHENE DERIVATIVES DDT, MAGT1, MBTD1 L3MBTL1 1374/4885CYP1A2 943/4885CYP2C19 2484/4885
US-11174432-B2 2,3-dihydrobenzothiophene derivatives DDT, MAGT1, MBTD1 L3MBTL1 1374/4885CYP1A2 943/4885CYP2C19 2484/4885
US-20070247585-A1 Hexahydrodibenzofuran derivatives HEXD, CFD, EDF1 L3MBTL1 4349/4885CYP1A2 343/4885CYP2C19 811/4885
US-20050258399-A1 Fluorinated heterocycles and their use in liquid-crystal mixtures CHRM1, AFF1, H1-0 L3MBTL1 510/4885CYP1A2 328/4885CYP2C19 1342/4885

“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.