SCHEMBL3785592

SCHEMBL3785592

Brc1cccc(-c2cccc(-c3ccccc3-c3cccnc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.53
CYP11B2 P19099 2/20 0.53
CYP19A1 P11511 2/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 3/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CYP1A2 P05177 2/20 0.45
PTGS2 P35354 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2A6 P11509 1/20 0.45
KMO O15229 1/20 0.45
CYP17A1 P05093 1/20 0.45
NPC1 O15118 2/20 0.44
TP53 P04637 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
SCHEMBL2750976 0.95 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1ALDH1A1KDM4E
SCHEMBL22418959 0.88 CYP11B1 (0.66) CYP11B1CYP11B2CYP19A1ALDH1A1KDM4E
SCHEMBL12129656 0.86 CYP11B1 (0.64) CYP11B1CYP11B2CYP19A1ALDH1A1KDM4E
SCHEMBL5527671 0.86 CYP11B1 (0.64) CYP11B1CYP11B2CYP19A1ALDH1A1KDM4E
SCHEMBL2750529 0.86 CYP11B1 (0.64) CYP11B1CYP11B2CYP19A1ALDH1A1KDM4E
SCHEMBL1065165 0.86 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1ALDH1A1KDM4E
SCHEMBL28284855 0.86 CYP2A6 (0.62) CYP11B1CYP11B2CYP19A1ALDH1A1KDM4E
SCHEMBL5527756 0.85 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1ALDH1A1KDM4E
SCHEMBL1935147 0.83 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1ALDH1A1KDM4E
SCHEMBL27799996 0.82 CYP2A6 (0.58) CYP11B1CYP11B2CYP19A1ALDH1A1MEN1

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
EP-2445881-B1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM BOE TECHNOLOGY GROUP CO LTD (CN) 2017-11-15 EP disclosed
US-20100331547-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2010-12-30 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-20100331547-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM CYP4F11, BCL6, CYP2F1 CYP11B1 19/4885CYP11B2 13/4885CYP19A1 130/4885

“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.