SCHEMBL21399313

SCHEMBL21399313

N#Cc1ccc(-c2ccc(-c3c(Br)ccc4ccccc34)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
MMP3 P08254 3/20 0.42
PDPK1 O15530 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
TDO2 P48775 1/20 0.37
CYP11B2 P19099 1/20 0.37
MYB P10242 1/20 0.36
TSHR P16473 1/20 0.36
TNKS O95271 1/20 0.36
PDE9A O76083 1/20 0.36
KIF11 P52732 2/20 0.36
CYP19A1 P11511 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
SCHEMBL20405158 0.81 SLC22A12 (0.50) SLC22A12CA1CA2MMP3PDPK1
SCHEMBL19435502 0.79 SLC22A12 (0.51) SLC22A12CA1CA2MMP3MEN1
SCHEMBL19435544 0.79 SLC22A12 (0.48) SLC22A12CA1CA2MMP3PDPK1
SCHEMBL31543984 0.79 ALDH1A1 (0.46) TSHR
SCHEMBL18320175 0.79 ALDH1A1 (0.46) TSHR
SCHEMBL23624465 0.78 CA1 (0.53) SLC22A12CA1CA2MMP3PDPK1
SCHEMBL26315772 0.77 CA1 (0.46) SLC22A12CA1CA2MMP3PDPK1
SCHEMBL13191989 0.77 MMP3 (0.52) SLC22A12CA1CA2MMP3CA12
SCHEMBL22508423 0.76 PDPK1 (0.45) SLC22A12CA1CA2MMP3PDPK1
SCHEMBL29521590 0.76 PDPK1 (0.45) SLC22A12CA1CA2MMP3PDPK1

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-11737358-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-08-22 US disclosed
US-11737358-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-08-22 US disclosed
WO-2019182402-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-09-26 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-11737358-B2 Compound and organic light emitting device comprising same ARNT, CYP1A1, AHR SLC22A12 3035/4885CA1 3935/4885CA2 4156/4885

“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.