SCHEMBL4282887

SCHEMBL4282887

Clc1cc2c(Br)cc1-2.OBO

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL12402997 0.78 AHR (0.47) AHRMAPK1
2,2',4,4',5,5'-Hexachlorobiphenyl SCHEMBL29367365 0.65 AHR (1.00) AHRMAPK1
SCHEMBL29441520 0.65 AHR (0.39) AHRMAPK1
SCHEMBL26724 0.65 AHR (0.39) AHRMAPK1
2,2',4,4',5,5'-Hexachlorobiphenyl SCHEMBL258301 0.65 AHR (1.00) AHRMAPK1
SCHEMBL31254111 0.65 AHR (0.39) AHRMAPK1
Water SCHEMBL22361230 0.62 AHR (0.37) AHR
SCHEMBL15724537 0.62 GAA (0.48) MAPK1
SCHEMBL29281387 0.62 APEX1 (0.35) MAPK1
SCHEMBL28868561 0.62 TSHR (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT AHR 2206/4885MAPK1 3470/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AHR 2086/4885MAPK1 3449/4885

“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.