SCHEMBL7170676

SCHEMBL7170676

Brc1cc(-c2cc(Br)c(Br)c(Br)c2)cc(Br)c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 1.00
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA1 P00915 1/20 0.40
CA6 P23280 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
AKR1B1 P15121 1/20 0.33
AHR P35869 3/20 0.32
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
GAA P10253 1/20 0.30

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
Water SCHEMBL28122788 0.96 APEX1 (0.92) APEX1CA2CA4CA1CA6
SCHEMBL29662848 0.82 APEX1 (0.67) APEX1CA2CA1CRHBPCRHR2
SCHEMBL27982037 0.78 ESR1 (0.62) APEX1CRHBPCRHR2
SCHEMBL13429752 0.78 APEX1 (0.60) APEX1CRHBPCRHR2AKR1C4AKR1C3
SCHEMBL12440901 0.78 APEX1 (0.60) APEX1CRHBPCRHR2TDP1MAPT
SCHEMBL6660944 0.75 APEX1 (0.60) APEX1CA2CA4CA1CA6
SCHEMBL12514869 0.72 APEX1 (0.52) APEX1CA2MAPT
SCHEMBL28013373 0.72 APEX1 (0.56) APEX1CA2CA4CA1CA6
SCHEMBL30076266 0.71 APEX1 (0.52) APEX1TDP1
SCHEMBL8723718 0.69 APEX1 (0.53) APEX1CA2CA4CA1CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO claimed
CN-115616109-B Rapid detection method for multiple polybrominated biphenyls in water 江苏康达检测技术股份有限公司 2025-01-24 CN disclosed
CN-110612119-B Phosphatidylether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2024-10-29 CN disclosed
CN-117177989-A Activity-inducible fusion proteins with heat shock protein 90 binding domain 西雅图儿童医院以西雅图儿童研究机构名义经营 2023-12-05 CN disclosed
US-20230322925-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS SEATTLE CHILDREN’S HOSPITAL DBA SEATTLE CHILDREN’S RES INSTITUTE (US) 2023-10-12 US disclosed
US-20230172981-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS SEATTLE CHILDRENS HOSPITAL DBA SEATTLE CHILDRENS RES INST (US) 2023-06-08 US disclosed
US-11649288-B2 Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents SEATTLE CHILDREN'S HOSPITAL (US) 2023-05-16 US disclosed
CN-115616109-A Method for rapidly detecting multiple polybrominated biphenyls in water 江苏康达检测技术股份有限公司 2023-01-17 CN disclosed
US-20210317407-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS Seattle Children's Hospital (dba Seattle Children's Research Institute) 2021-10-14 US disclosed
CN-111909045-A End-capping agent containing crosslinkable group, modified polyimide precursor resin, photosensitive resin composition and application thereof 北京鼎材科技有限公司 2020-11-10 CN disclosed
US-20200087399-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) 2020-03-19 US disclosed
CN-106407665-B A kind of people's transthyretin chaff interferent virtual screening method 大连理工大学 2018-10-16 CN disclosed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO disclosed
CN-106407665-A Virtual screening method of human transthyretin (hTTR) disturbing chemicals 大连理工大学 2017-02-15 CN 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-11649288-B2 Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents PHOSPHO1, LCAT, CD47 APEX1 4185/4885CA2 1735/4885CA4 725/4885
US-20230322925-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS PHOSPHO1, LCAT, CD47 APEX1 4185/4885CA2 1735/4885CA4 725/4885
US-20200087399-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS PHOSPHO1, LCAT, CD47 APEX1 4185/4885CA2 1735/4885CA4 725/4885

“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.