SCHEMBL425604

SCHEMBL425604

CCOc1ccc(B(O)O)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM1A O60341 2/20 0.36
ALDH1A1 P00352 3/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
CREBBP Q92793 1/20 0.35
FGFR2 P21802 1/20 0.35
NQO1 P15559 1/20 0.34
LIPE Q05469 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL29353523 1.00 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16572513 0.93 FGFR2 (0.35) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL6559525 0.87 L3MBTL1 (0.35) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL28472673 0.87 KDM4E (0.39) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL29562631 0.85 CYP1A2 (0.40) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL429654 0.85 CYP1A2 (0.40) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL2880932 0.85 TSHR (0.36) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL1064785 0.85 L3MBTL1 (0.43) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL8746461 0.84 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTHPGD
SCHEMBL29545875 0.84 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114230552-B Trifluoromethoxy dibenzothiophene, preparation method thereof and preparation method of related intermediate 江苏广域化学有限公司 2023-11-03 CN claimed
CN-110635045-B Water/alcohol soluble organic solar cell anode modification layer material and preparation method thereof 南昌航空大学 2022-08-19 CN claimed
CN-114230552-A Trifluoromethoxy dibenzothiophene, preparation method thereof and preparation method of related intermediate 江苏广域化学有限公司 2022-03-25 CN claimed
CN-110635045-A Water/alcohol soluble organic solar cell anode modification layer material and preparation method thereof 南昌航空大学 2019-12-31 CN claimed
CN-114231295-B Liquid crystal composition containing substituted cyclohexyl compound and application thereof 重庆汉朗精工科技有限公司 2024-07-02 CN disclosed
CN-114231294-B Negative liquid crystal composition and application thereof 重庆汉朗精工科技有限公司 2024-04-19 CN disclosed
CN-114231296-B Negative liquid crystal composition and application 重庆汉朗精工科技有限公司 2024-04-09 CN disclosed
CN-117510421-B Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof 河北美星化工有限公司 2024-04-05 CN disclosed
CN-117599687-A Synthesis device of 4-ethoxy-2, 3-difluorophenol 浙江吉泰新材料股份有限公司 2024-02-27 CN disclosed
CN-117510421-A Fluorine-containing benzotriazolyl fluorescent compound for optical transfer film and synthesis method thereof 河北美星化工有限公司 2024-02-06 CN disclosed
CN-117402041-A Synthesis method of 4-ethoxy-2, 3-difluorophenol 浙江吉泰新材料股份有限公司 2024-01-16 CN disclosed
CN-117143071-A Preparation method of trans-1, 3-dioxane liquid crystal compound 宁夏中星显示材料有限公司 2023-12-01 CN disclosed
US-7087272-B2 negative anisotropy of the dielectric constants; liquid-crystalline media and optical and electro-optical display elements MERCK PATENT GMBH (DE) 2006-08-08 US disclosed
US-20050104039-A1 4-ethoxy-2,3,3'-trifluoro-4'-(4-pentyl-cyclohex-3-enyl)-biphenyl; high voltage holding ratio, high TNI, rapid respondse speed SAMSUNG ELECTRONICS CO., LTD. (KR) 2005-05-19 US disclosed
US-20040106798-A1 negative anisotropy of the dielectric constants; liquid-crystalline media and optical and electro-optical display elements MERCK PATENT GMBH (DE) 2004-06-03 US disclosed
EP-1373434-A1 FLUORINATED FLUORENE DERIVATIVES MERCK PATENT GmbH (DE) 2004-01-02 EP disclosed
WO-2002079344-A1 FLUORINATED FLUORENE DERIVATIVES MERCK PATENT GMBH (DE) 2002-10-10 WO disclosed
US-6420584-B1 DEPROTONATION USING ALKYL- OR ARYLMETAL COMPOUNDS OR METAL HYDRIDES IN THE PRESENCE OF A CATALYTIC AMOUNT OF A SECONDARY METAL AMIDE. MERCK PATENT GMBH (DE) 2002-07-16 US disclosed
US-6207835-B1 DEPROTONATION IN CONTINUOUS FLOW REACTOR MERCK KGAA (DE) 2001-03-27 US disclosed
US-5262556-A Alkylation or hydroxyalkylation by deprotonation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-11-16 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 (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-20050104039-A1 4-ethoxy-2,3,3'-trifluoro-4'-(4-pentyl-cyclohex-3-enyl)-biphenyl; high voltage holding ratio, high TNI, rapid respondse speed CACNA1I, TBRG4, CACNA1E L3MBTL1 1786/4885CYP1A2 2550/4885CYP2D6 3635/4885
US-20040106798-A1 negative anisotropy of the dielectric constants; liquid-crystalline media and optical and electro-optical display elements H1-0, F3, H1-2 L3MBTL1 478/4885CYP1A2 3731/4885CYP2D6 4612/4885

“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.