SCHEMBL21477352

SCHEMBL21477352

Cc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccccc6)cn5)cc4)C3)cc2)ncc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
ADRA2A P08913 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ALOX5AP P20292 3/20 0.31
FEN1 P39748 2/20 0.31
TOP1 P11387 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
TGFBR1 P36897 1/20 0.31
MAP4K1 Q92918 2/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
DGAT1 O75907 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 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
SCHEMBL21480913 1.00 LDHA (0.35) LDHAADRA2AADRA1DADRA1AALOX5AP
SCHEMBL19781102 0.96 LDHA (0.38) LDHAADRA2AADRA1DADRA1AALOX5AP
SCHEMBL19781101 0.95 LDHA (0.38) LDHAADRA2AADRA1DADRA1AALOX5AP
SCHEMBL19933598 0.91 LDHA (0.36) LDHAADRA2AADRA1DADRA1AALOX5AP
SCHEMBL21125634 0.91 ALOX5AP (0.34) ADRA2AADRA1DADRA1AALOX5APFEN1
SCHEMBL21477364 0.90 IDO1 (0.35) LDHAALOX5APFEN1TOP1TGFBR1
SCHEMBL21480911 0.90
SCHEMBL21480904 0.90 ABL1 (0.35) ADRA2AADRA1DADRA1AALOX5APTOP1
SCHEMBL21721913 0.88 ABL1 (0.34) ADRA2AADRA1AALOX5APFEN1TGFBR1
SCHEMBL19780941 0.88 IDO1 (0.35) ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 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 (3 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-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 LDHA 1816/4885ADRA2A 4638/4885ADRA1D 4786/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 LDHA 1816/4885ADRA2A 4638/4885ADRA1D 4786/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 LDHA 1816/4885ADRA2A 4638/4885ADRA1D 4786/4885

“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.