SCHEMBL23947339

SCHEMBL23947339

COc1cccc(Br)c1-c1ccncc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ADRA2B P18089 1/20 0.37
PTGS1 P23219 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL23946680 0.88 CYP1A2 (0.43) CA1CA2CA9CA12ALDH1A1
SCHEMBL23947579 0.80 CYP1A1 (0.40) CA1CA2CA9CA12CYP1A1
SCHEMBL30832982 0.80 ALDH1A1 (0.52) CA1CA2CA9CA12ALDH1A1
SCHEMBL14894443 0.76 SLC22A12 (0.51) ALDH1A1ADRA2BPTGS1TDP1GAA
SCHEMBL23946599 0.75 PLAU (0.42) CYP1A1CYP1B1HSP90AA1HSP90AB1PDE5A
SCHEMBL25608297 0.74 HSP90AA1 (0.40) CA1CA2CA9ALDH1A1ADRA2B
SCHEMBL23947124 0.74 HSP90AA1 (0.40) ALDH1A1TDP1GAAKDM4EHSP90AA1
SCHEMBL23947565 0.74 GAA (0.38) CA1CA2CA9CA12CYP1A1
SCHEMBL25622825 0.72 ACHE (0.36) CA1CA2CA9CA12ALDH1A1
SCHEMBL1768355 0.72 TOP1 (0.47) CA1CA2CA9CA12ALDH1A1

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-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 US disclosed
WO-2021210911-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-10-21 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-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY2, CYBA, AHR CA1 4093/4885CA2 3399/4885CA9 2534/4885

“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.