SCHEMBL4041759

SCHEMBL4041759

Fc1ccc2c(c1)OCc1ncccc1C2=CBr

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.50
NR3C2 P08235 9/20 0.40
HTR2B P41595 1/20 0.37
CYP11B2 P19099 2/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL4041754 1.00 MAPK14 (0.50) MAPK14NR3C2HTR2BCYP11B2CYP3A4
SCHEMBL4042283 1.00 MAPK14 (0.50) MAPK14NR3C2HTR2BCYP11B2CYP3A4
SCHEMBL13802022 0.87 MAPK14 (0.50) MAPK14NR3C2HTR2BCYP11B2CYP3A4
SCHEMBL13802019 0.87 MAPK14 (0.50) MAPK14NR3C2HTR2BCYP11B2CYP3A4
SCHEMBL10013579 0.84 MAPK14 (0.47) MAPK14NR3C2HTR2BCYP3A4CYP2C9
SCHEMBL4042260 0.80 MAPK14 (0.71) MAPK14NR3C2CYP19A1
SCHEMBL4039496 0.80 MAPK14 (0.53) MAPK14NR3C2HTR2BCYP11B2CYP19A1
SCHEMBL2251060 0.80 NR3C2 (0.58) MAPK14NR3C2HTR2BCYP3A4CYP2C9
SCHEMBL3090362 0.80 NR3C2 (0.58) MAPK14NR3C2HTR2BCYP3A4CYP2C9
SCHEMBL2251054 0.80 NR3C2 (0.58) MAPK14NR3C2HTR2BCYP3A4CYP2C9

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 6 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
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP 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
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP 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 MAPK14 1472/4885NR3C2 2/4885HTR2B 962/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 MAPK14 1545/4885NR3C2 2/4885HTR2B 891/4885

“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.