SCHEMBL21031045

SCHEMBL21031045

Clc1ccc2c(c1)C1(c3ccccc3-2)c2cc(Br)ccc2-c2c1cc(Br)c1c2oc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.33
PIM1 P11309 2/20 0.32
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
PDK2 Q15119 3/20 0.32
ALOX5 P09917 1/20 0.31
NMUR2 Q9GZQ4 2/20 0.30
AKR1A1 P14550 1/20 0.30
AKR1B1 P15121 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
SCHEMBL22694903 0.97 AHR (0.35) AHRPIM1CSNK2A2CSNK2BPIM3
SCHEMBL18165293 0.94 PDK2 (0.36) PDK2ALOX5NMUR2
SCHEMBL29776716 0.94 PDK2 (0.36) PDK2ALOX5NMUR2
SCHEMBL21031786 0.89 AHR (0.34) AHRPDK2ALOX5AKR1A1AKR1B1
SCHEMBL18566652 0.88 PDK2 (0.34) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL29776674 0.88 PDK2 (0.34) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL25577342 0.88 PDK2 (0.34) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL18854839 0.87 ALOX5 (0.36) AHRALOX5
SCHEMBL22694906 0.85 AHR (0.39) AHRPDK2ALOX5
SCHEMBL21031788 0.85 AHR (0.36) AHRALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369678-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-11-26 US disclosed
WO-2019101833-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-05-31 WO 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-20200369678-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM AHR 3734/4885PIM1 1313/4885CSNK2A2 3207/4885

“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.