SCHEMBL25633604

SCHEMBL25633604

c1cc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
MCL1 Q07820 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL25060817 0.97 CA12 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL25633816 0.95 HSD17B1 (0.45) CA12CA1CA2CA9MCL1
SCHEMBL25633662 0.95 ALOX5 (0.42) CA12CA1CA2CA9MCL1
SCHEMBL25968252 0.94 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL25060824 0.92 CA12 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL23683107 0.92 HSD17B1 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL31499010 0.92 HSD17B1 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL21435732 0.91 ALDH1A1 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL23988465 0.90 CA12 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL23267572 0.90 CA12 (0.44) CA12CA1CA2CA9MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230180596-A1 Novel Compound and Organic Light Emitting Device Comprising the Same LG CHEM, LTD. (KR) 2023-06-08 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-20230180596-A1 Novel Compound and Organic Light Emitting Device Comprising the Same CRY1, CRY2, CYBA CA12 1274/4885CA1 2878/4885CA2 3063/4885

“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.