SCHEMBL450896

SCHEMBL450896

Clc1[c][nH]c2cccc(Br)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
CYP2A6 P11509 1/20 0.37
AHR P35869 1/20 0.35
FEN1 P39748 1/20 0.35
NOS1 P29475 1/20 0.33
AXL P30530 1/20 0.33
PSMB8 P28062 1/20 0.32
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CAMK2B Q13554 1/20 0.30
CAMK2G Q13555 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
SCHEMBL2379988 0.79 GPR84 (0.41) CYP2A6FEN1NOS1PSMB8GPR17
SCHEMBL6160406 0.79 CYP2A6 (0.39) PDPK1CYP2A6AHRFEN1NOS1
SCHEMBL7459887 0.72 GPR84 (0.39) CYP2A6FEN1NOS1PSMB8CCNB2
SCHEMBL6008314 0.66 FEN1 (0.52) PDPK1CYP2A6AHRFEN1NOS1
SCHEMBL30439700 0.66 FEN1 (0.52) PDPK1CYP2A6AHRFEN1NOS1
SCHEMBL1639050 0.66 ALDH1A1 (0.40) PDPK1CYP2A6AHRNOS1
SCHEMBL23604563 0.64 PDPK1 (0.52) PDPK1CYP2A6AHRFEN1NOS1
SCHEMBL4694663 0.64 GAA (0.39) FEN1NOS1PSMB8
SCHEMBL28973447 0.61 CYP2A6 (0.60) CYP2A6AHRFEN1NOS1AXL
SCHEMBL207713 0.60 JAK2 (0.41) PDPK1CYP2A6AHRNOS1PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326653-B1 DETECTION OF THE PRESENCE OF A MICROBE OR RELATED SUBSTANCE AT A LOCATION CAMBRIDGE MEDITECH LTD (GB) 2007-07-11 EP claimed
US-12006368-B2 Anti-frizzled antibodies and methods of use Surrozen Operating, Inc. (US) 2024-06-11 US disclosed
US-20240158523-A1 ANTI-CD40 ANTIBODIES AND METHODS OF USE APEXIGEN, INC. 2024-05-16 US disclosed
US-11982678-B2 Ensemble-decision aliquot ranking UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2024-05-14 US disclosed
US-20240150458-A1 ANTI-LRP5/6 ANTIBODIES AND METHODS OF USE Surrozen Operating, Inc. (US) 2024-05-09 US disclosed
US-20240150431-A1 MHC Multimers, Methods for Their Generation, Labeling and Use DAKO DENMARK APS (DK) 2024-05-09 US disclosed
US-20240141049-A1 WNT SURROGATE MOLECULES AND USES THEREOF Surrozen Operating, Inc. 2024-05-02 US disclosed
US-20240067746-A1 THERAPEUTIC ANTIBODIES GLYCONEX INC (TW) 2024-02-29 US disclosed
CN-117561078-A Biomarkers for assessing risk of developing acute covd-19 and post-acute covd-19 奥默罗斯公司 2024-02-13 CN disclosed
US-20230406948-A1 ANTI-CD40 ANTIBODIES AND METHODS OF USE APEXIGEN, INC. 2023-12-21 US disclosed
EP-0720744-A1 AN ASSAY DEVICE La Mina, Inc. (US) 1996-07-10 EP disclosed
US-5459040-A Enzyme amplified, complex linked, competitive and non-competitive assays for the detection of metal ions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-10-17 US disclosed
WO-1995026201-A1 BREVICAN, A GLIAL CELL PROTEOGLYCAN LA JOLLA CANCER RESEARCH FOUNDATION (US) 1995-10-05 WO disclosed
WO-1995016207-A1 ASSAY DEVICE WITH A BARRIER FOR REGULATING REAGENT APPLICATION SMITHKLINE DIAGNOSTICS, INC. (US) 1995-06-15 WO disclosed
WO-1995014926-A1 ENZYME AMPLIFIED COMPETITIVE AND SANDWICH CHELATION ASSAYS FOR METAL IONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-06-01 WO disclosed
WO-1995008117-A1 AN ASSAY DEVICE GUIRGUIS RAOUF A (US) 1995-03-23 WO disclosed
EP-0643834-A1 SIMULTANEOUS DRUG TESTING AND FINGERPRINTING ASSAY LA MINA LTD. (US) 1995-03-22 EP disclosed
WO-1994017211-A1 NON-RADIOACTIVE METHOD FOR DETECTING A LABELLED SEGMENT AND A SOLUTION OR COMPOSITION THEREFOR WRIGHT DENNIS (US) 1994-08-04 WO disclosed
WO-1993006486-A1 SIMULTANEOUS DRUG TESTING AND FINGERPRINTING ASSAY LA MINA, LTD. (US) 1993-04-01 WO disclosed
US-4687732-A COUPLING OF MINUTE QUANITY OF SAMPLE WITH DETECTING AGENT YALE UNIVERSITY (US) 1987-08-18 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-20240150431-A1 MHC Multimers, Methods for Their Generation, Labeling and Use MICA, CD74, HLA-DRB1 PDPK1 4777/4885CYP2A6 3546/4885AHR 3751/4885

“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.