SCHEMBL23906006

SCHEMBL23906006

CC[C@@H]1CC(=O)c2ccc(OCc3ccncc3OC)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.43
MAOB P27338 6/20 0.41
CYP3A4 P08684 1/20 0.41
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL30251337 1.00 CYP19A1 (0.43) CYP19A1MAOBCYP3A4GPR119
SCHEMBL32675590 1.00 CYP19A1 (0.43) CYP19A1MAOBCYP3A4GPR119
SCHEMBL23905963 1.00 CYP19A1 (0.43) CYP19A1MAOBCYP3A4GPR119
SCHEMBL23882769 1.00 CYP19A1 (0.43) CYP19A1MAOBCYP3A4GPR119
SCHEMBL23906288 0.82 BRD4 (0.53) CYP19A1MAOB
SCHEMBL23905929 0.82 MAOB (0.57) MAOB
SCHEMBL11377697 0.78 CYP19A1 (0.63) CYP19A1MAOBCYP3A4
SCHEMBL23906322 0.76 MAOB (0.46) CYP19A1MAOB
SCHEMBL23882766 0.76 MAOB (0.46) CYP19A1MAOB
SCHEMBL23906152 0.76 MAOB (0.46) CYP19A1MAOB

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-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 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-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR HLA-DRB1, CD74, HLA-C CYP19A1 3518/4885MAOB 1451/4885CYP3A4 2219/4885

“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.