SCHEMBL1541841

SCHEMBL1541841

COc1cc2c(cnn2-c2ccc(F)cc2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NR3C1 P04150 13/20 0.50
PGR P06401 4/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
MAP4K1 Q92918 3/20 0.47
CYP17A1 P05093 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL26654644 0.86 MAP4K1 (0.52) ALDH1A1NR3C1PGRMAP4K1
SCHEMBL1542061 0.82 NR3C1 (0.55) NR3C1PGRCYP11B2
SCHEMBL836503 0.81 CYP11B1 (0.49) ALDH1A1L3MBTL1NR3C1PGRCYP11B1
SCHEMBL30749607 0.81 MAP4K1 (0.47) ALDH1A1L3MBTL1NR3C1PGRCYP11B1
SCHEMBL27170740 0.81 MAP4K1 (0.47) ALDH1A1L3MBTL1NR3C1PGRCYP11B1
SCHEMBL1542086 0.79 NR3C1 (0.57) NR3C1PGRCYP11B2
SCHEMBL25230008 0.77 NR3C1 (0.57) NR3C1PGRCYP11B1CYP11B2
SCHEMBL30947618 0.76 CYP11B1 (0.56) ALDH1A1L3MBTL1NR3C1PGRCYP11B1
SCHEMBL836751 0.76 CYP11B2 (0.67) NR3C1PGRCYP11B1CYP11B2
SCHEMBL25366126 0.76 MAP4K1 (0.47) ALDH1A1L3MBTL1NR3C1PGRCYP11B1

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 ALDH1A1 3255/4885L3MBTL1 639/4885NR3C1 236/4885

“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.