SCHEMBL4038872

SCHEMBL4038872

Fc1ccc2c(c1)COc1cc(F)ccc1/C2=C\Br

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.50
NR3C2 P08235 12/20 0.48
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK14 Q16539 4/20 0.36
NOTUM Q6P988 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2253808 1.00 HTR2B (0.50) HTR2BNR3C2CYP3A4CYP2C9CYP2D6
SCHEMBL2253812 1.00 HTR2B (0.50) HTR2BNR3C2CYP3A4CYP2C9CYP2D6
SCHEMBL2251060 0.91 NR3C2 (0.58) HTR2BNR3C2CYP3A4CYP2C9CYP2D6
SCHEMBL2251054 0.91 NR3C2 (0.58) HTR2BNR3C2CYP3A4CYP2C9CYP2D6
SCHEMBL3090362 0.91 NR3C2 (0.58) HTR2BNR3C2CYP3A4CYP2C9CYP2D6
SCHEMBL3664130 0.79 NR3C2 (0.46) HTR2BNR3C2CYP3A4CYP2C9CYP2D6
SCHEMBL2251150 0.79 NR3C2 (0.46) HTR2BNR3C2CYP3A4CYP2C9CYP2D6
SCHEMBL2251145 0.79 NR3C2 (0.46) HTR2BNR3C2CYP3A4CYP2C9CYP2D6
SCHEMBL4045716 0.78 CYP11B2 (0.46)
SCHEMBL13802528 0.76 HTR2B (0.41) HTR2BNR3C2MAPK14

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 4 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

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 HTR2B 962/4885NR3C2 2/4885CYP3A4 385/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 HTR2B 891/4885NR3C2 2/4885CYP3A4 381/4885

“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.