SCHEMBL1542086

SCHEMBL1542086

Oc1cc2c(cnn2-c2ccc(F)cc2)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.57
PGR P06401 5/20 0.53
CYP11B2 P19099 1/20 0.44
SMO Q99835 2/20 0.44
MAPK1 P28482 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
SCHEMBL1542061 0.82 NR3C1 (0.55) NR3C1PGRCYP11B2SMO
SCHEMBL27170733 0.81 NR3C1 (0.67) NR3C1PGRCYP11B2
SCHEMBL25230008 0.80 NR3C1 (0.57) NR3C1PGRCYP11B2
SCHEMBL25370177 0.79 NR3C1 (0.47) NR3C1PGRCYP11B2
SCHEMBL29493807 0.79 NR3C1 (0.47) NR3C1PGRCYP11B2
SCHEMBL1363835 0.79 NR3C1 (0.57) NR3C1PGRSMO
SCHEMBL441369 0.79 NR3C1 (0.57) NR3C1PGRCYP11B2MAPK1
SCHEMBL1541841 0.79 ALDH1A1 (0.54) NR3C1PGRCYP11B2
SCHEMBL14765169 0.77 NR3C1 (0.51) NR3C1PGRCYP11B2
SCHEMBL3011613 0.77 NR3C1 (0.62) NR3C1PGRCYP11B2SMO

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-20110112299-A1 TETRACYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-12 US disclosed
EP-2308880-A1 TETRACYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-04-13 EP 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-20110112299-A1 TETRACYCLIC COMPOUND REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, LPXN NR3C1 236/4885PGR 1128/4885CYP11B2 165/4885

“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.