SCHEMBL4153920

SCHEMBL4153920

Brc1ccc(C=C2c3ccccc3CCc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP19A1 P11511 5/20 0.45
CYP11B2 P19099 4/20 0.45
MAOB P27338 2/20 0.45
CYP11B1 P15538 1/20 0.45
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
MIF P14174 3/20 0.44
KMT2A Q03164 1/20 0.41
CES1 P23141 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.40
ADRB2 P07550 2/20 0.40
RET P07949 2/20 0.40
CHRM2 P08172 2/20 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
SCHEMBL17279666 0.89 ERBB2 (0.48) ERBB2TDP1L3MBTL1CYP19A1CYP11B2
SCHEMBL19784873 0.82 CYP19A1 (0.57) ERBB2CYP19A1CYP11B2ARKMT2A
SCHEMBL4163879 0.81 HTR6 (0.46) CYP19A1CYP11B2MAOBCYP11B1NR3C1
SCHEMBL13802226 0.81 PARP1 (0.50) CYP19A1CYP11B2MAOBCYP11B1NR3C1
SCHEMBL6239187 0.81 MIF (0.64) TDP1CYP19A1CYP11B2MAOBCYP11B1
SCHEMBL4158887 0.81 MAOB (0.49) CYP19A1CYP11B2MAOBCYP11B1NR3C1
SCHEMBL4042552 0.81 AR (0.55) TDP1L3MBTL1CYP19A1CYP11B2MAOB
SCHEMBL13508434 0.80 CYP19A1 (0.44) CYP19A1CYP11B2MAOBCYP11B1NR3C1
SCHEMBL4157456 0.79 CYP19A1 (0.46) CYP19A1CYP11B2MAOBCYP11B1NR3C1
SCHEMBL8548101 0.78 MAOB (0.77) CYP19A1CYP11B2MAOBMIFKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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 (2 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 ERBB2 1618/4885TDP1 3931/4885L3MBTL1 4870/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 ERBB2 1354/4885TDP1 4121/4885L3MBTL1 4872/4885

“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.