SCHEMBL23487539

SCHEMBL23487539

c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4cccnc4)cc(-c4ccccc4-c4cccnc4)c3)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.53
CYP11B2 P19099 2/20 0.53
CYP2A6 P11509 5/20 0.50
CYP3A4 P08684 2/20 0.50
FYN P06241 2/20 0.48
PTGS2 P35354 1/20 0.48
CYP19A1 P11511 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
PDK2 Q15119 1/20 0.45
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
KMO O15229 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
DHODH Q02127 1/20 0.44
LDHA P00338 1/20 0.44

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
SCHEMBL19933578 0.90 LDHA (0.52) CYP11B1CYP11B2LDHA
SCHEMBL18015574 0.90 LDHA (0.52) CYP11B1CYP11B2LDHA
SCHEMBL19794431 0.88 LDHA (0.50) CYP11B1CYP11B2LDHA
SCHEMBL21721920 0.88 LDHA (0.50) CYP11B1CYP11B2DHODHLDHA
SCHEMBL19794370 0.88 LDHA (0.50) CYP11B1CYP11B2LDHA
SCHEMBL18015495 0.88 LDHA (0.50) CYP11B1CYP11B2LDHA
SCHEMBL19794501 0.88 ALDH1A1 (0.49) CYP11B1CYP11B2CYP2A6CYP3A4PTGS2
SCHEMBL21125931 0.86 HSD17B1 (0.56) CYP11B1CYP11B2LDHA
SCHEMBL15459071 0.86 CYP2A6 (0.53) CYP11B1CYP11B2CYP2A6CYP3A4PTGS2
SCHEMBL9974922 0.86 CYP11B1 (0.51) CYP11B1CYP11B2CYP2A6CYP3A4FYN

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-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
WO-2021110720-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-06-10 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-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 CYP11B1 1353/4885CYP11B2 661/4885CYP2A6 4118/4885

“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.