SCHEMBL69029

SCHEMBL69029

Oc1cc(O)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.52
BACE1 P56817 1/20 0.50
KIF11 P52732 1/20 0.46
CES2 O00748 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
IDO1 P14902 2/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
GPR35 Q9HC97 1/20 0.37
KDM1A O60341 1/20 0.37
LCK P06239 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
P2RX1 P51575 1/20 0.36

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
SCHEMBL186842 0.94 GABRA1 (0.52) PTGS1BACE1KIF11CES2GABRA1
Water SCHEMBL21493255 0.91 GABRA1 (0.50) PTGS1BACE1KIF11CES2GABRA1
SCHEMBL29886876 0.91 CES2 (0.56) PTGS1BACE1KIF11CES2GABRA1
SCHEMBL29384937 0.91 GABRA1 (0.50) PTGS1BACE1KIF11CES2GABRA1
SCHEMBL29005991 0.91 GABRA1 (0.50) PTGS1BACE1KIF11CES2GABRA1
SCHEMBL29170632 0.88 CES2 (0.48) PTGS1BACE1KIF11CES2GABRA1
SCHEMBL8999890 0.86 KIF11 (0.46) PTGS1BACE1KIF11CES2GABRA1
SCHEMBL29319988 0.84 RXRA (0.48) PTGS1BACE1KIF11CES2GABRA1
SCHEMBL29452900 0.84 CA12 (0.57) PTGS1BACE1KIF11CES2GABRA1
SCHEMBL77464 0.84 CA12 (0.57) PTGS1BACE1KIF11CES2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118949689-A Amphoteric ion modified fluorine-containing poly (ester) amide thin layer composite reverse osmosis membrane, and preparation method and application thereof 天津工业大学绍兴柯桥研究院 2024-11-15 CN claimed
CN-118615887-A Fluorine-containing poly (ester) amide thin layer composite reverse osmosis membrane, and preparation method and application thereof 天津工业大学绍兴柯桥研究院 2024-09-10 CN claimed
CN-101270054-A Method for preparing 3,5-bis(2,6-di-nitryl-4-trifluoromethyl phenoxy group) toluene trifluoride UNIV DONGHUA (CN) 2008-09-24 CN claimed
CN-101234980-A Method for preparing 3,5-di(2,4-dinitrophenoxy)trifluorotoluene UNIV DONGHUA (CN) 2008-08-06 CN claimed
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 EP disclosed
CN-118949689-A Amphoteric ion modified fluorine-containing poly (ester) amide thin layer composite reverse osmosis membrane, and preparation method and application thereof 天津工业大学绍兴柯桥研究院 2024-11-15 CN disclosed
CN-118615887-A Fluorine-containing poly (ester) amide thin layer composite reverse osmosis membrane, and preparation method and application thereof 天津工业大学绍兴柯桥研究院 2024-09-10 CN disclosed
EP-4419532-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-08-28 EP disclosed
US-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-08-22 US disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 WO disclosed
US-20240239931-A1 FLUORINATED RESORCINOL AND HYDROQUINONE ANALOGS AS CURING AGENTS FOR FLUOROELASTOMERS CHEMOURS COMPANY FC, LLC, THE 2024-07-18 US disclosed
US-20240239931-A1 FLUORINATED RESORCINOL AND HYDROQUINONE ANALOGS AS CURING AGENTS FOR FLUOROELASTOMERS CHEMOURS COMPANY FC, LLC, THE 2024-07-18 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
CN-101875606-A Synthetic method of 2,6-dihydroxyterephthalic acid UNIV ZHEJIANG TECHNOLOGY 2010-11-03 CN disclosed
CN-101270054-A Method for preparing 3,5-bis(2,6-di-nitryl-4-trifluoromethyl phenoxy group) toluene trifluoride UNIV DONGHUA (CN) 2008-09-24 CN disclosed
CN-101270054-A Method for preparing 3,5-bis(2,6-di-nitryl-4-trifluoromethyl phenoxy group) toluene trifluoride UNIV DONGHUA (CN) 2008-09-24 CN disclosed
CN-101234980-A Method for preparing 3,5-di(2,4-dinitrophenoxy)trifluorotoluene UNIV DONGHUA (CN) 2008-08-06 CN disclosed
CN-101234980-A Method for preparing 3,5-di(2,4-dinitrophenoxy)trifluorotoluene UNIV DONGHUA (CN) 2008-08-06 CN disclosed
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 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-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 PTGS1 1804/4885BACE1 108/4885KIF11 4471/4885

“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.