SCHEMBL929959

SCHEMBL929959

COc1ccc([Mg]Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
TUBB1 Q9H4B7 6/20 0.44
KDM1A O60341 2/20 0.42
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP17A1 P05093 1/20 0.38
PTGS2 P35354 2/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.37
ERN1 O75460 1/20 0.36
PTGS1 P23219 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
SCHEMBL30883901 1.00 RAB9A (0.46) RAB9AHTTLMNAMAPK1TUBB1
SCHEMBL3138296 0.84 AMY1A (0.37) RAB9AHTTLMNAMAPK1ALDH1A1
SCHEMBL1021384 0.81 CA2 (0.48) MAPK1TUBB1ALDH1A1PTGS2KDM4E
SCHEMBL1023562 0.80 HTT (0.46) RAB9AHTTLMNAMAPK1TUBB1
SCHEMBL1021779 0.78 ALOX15 (0.42) RAB9ALMNAMAPK1ALDH1A1NPC1
SCHEMBL9250075 0.77 EPHX2 (0.46)
SCHEMBL4030548 0.76 ALDH1A1 (0.44) RAB9AHTTMAPK1ALDH1A1MEN1
SCHEMBL6142235 0.75 CA12 (0.31)
SCHEMBL28996996 0.73 ACHE (0.35) TUBB1ALDH1A1KDM4E
SCHEMBL667921 0.73 CES2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100548950-C Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-10-14 CN claimed
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US claimed
EP-1594824-A4 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS INC (US) 2007-04-04 EP claimed
CN-1759084-A Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2006-04-12 CN claimed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP claimed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US claimed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO claimed
US-12570648-B2 6,7-dihydro-5H-pyrido[2,3-c]pyridazine derivatives and related compounds as Bcl-xL protein inhibitors and pro-apoptotic agents for treating cancer LES LABORATOIRES SERVIER (FR) 2026-03-10 US disclosed
EP-4003989-B1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER SERVIER LAB (FR) 2023-12-27 EP disclosed
US-20220363677-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER VERNALIS (R&D) LTD (GB) 2022-11-17 US disclosed
EP-4003989-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER Les Laboratoires Servier (FR) 2022-06-01 EP disclosed
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 US disclosed
WO-2021018858-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER LES LABORATOIRES SERVIER (FR) 2021-02-04 WO disclosed
US-4914224-A HIGH-SPEED RESPONSE, WIDE TEMPERATURE RANGE, CHIRAL SMECTIC PHASES DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-04-03 US disclosed
US-4911862-A Aromatic carboxylic ester DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-03-27 US disclosed
EP-0341686-A2 Novel halogen-containing ester compounds, and their intermediates, and method of producing the same as well as liquid crystal compositions containing the same and light switching elements JAPAN ENERGY CORPORATION (JP) 1989-11-15 EP disclosed
US-4818432-A CHIRAL LIQUID CRYSTAL CHISSO CORPORATION (JP) 1989-04-04 US disclosed
EP-0243209-A2 3-Substituted biphenyl compound Chisso Corporation (JP) 1987-10-28 EP disclosed
EP-0231853-A2 Optically active carboxylic acid derivatives and liquid crystalline compositions comprising them DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-08-12 EP disclosed
EP-0197677-A2 Halogen-containing, optically active liquid crystal compound and liquid crystal composition containing same Chisso Corporation (JP) 1986-10-15 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 (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-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A RAB9A 3324/4885HTT 501/4885LMNA 3807/4885
US-12570648-B2 6,7-dihydro-5H-pyrido[2,3-c]pyridazine derivatives and related compounds as Bcl-xL protein inhibitors and pro-apoptotic agents for treating cancer BCOR, BCL2A1, BAK1 RAB9A 3362/4885HTT 4455/4885LMNA 230/4885
US-20220363677-A1 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER BAK1, BCL2, BCL2A1 RAB9A 3819/4885HTT 2422/4885LMNA 685/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG RAB9A 3831/4885HTT 4377/4885LMNA 48/4885

“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.