SCHEMBL8348558

SCHEMBL8348558

O=[N+]([O-])c1cccc(C#Cc2ccccc2COc2cc(F)ccc2Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
S1PR2 O95136 1/20 0.38
HSP90AA1 P07900 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 3/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
MEN1 O00255 3/20 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
SCHEMBL13814284 0.79 CYP19A1 (0.49) ALDH1A1MAPTNPSR1FFAR1L3MBTL1
SCHEMBL1541524 0.73 ALDH1A1 (0.52) ALDH1A1MAPTS1PR2HSP90AA1OPRK1
SCHEMBL25889505 0.68 CYP19A1 (0.61) ALDH1A1MAPTFFAR1L3MBTL1CYP19A1
SCHEMBL1542188 0.68 CNR2 (0.36) ALDH1A1MAPTS1PR2HSP90AA1OPRK1
SCHEMBL28728423 0.68 TSHR (0.67) ALDH1A1MAPTS1PR2HSP90AA1OPRK1
SCHEMBL9124019 0.67 ALDH1A1 (0.67) ALDH1A1MAPTS1PR2HSP90AA1OPRK1
SCHEMBL1720984 0.67 FFAR1 (0.46) ALDH1A1MAPTHTTFFAR1L3MBTL1
SCHEMBL5440371 0.66 MEN1 (0.65) MAPTCYP19A1MEN1KMT2A
SCHEMBL31443830 0.66 MEN1 (0.65) MAPTCYP19A1MEN1KMT2A
SCHEMBL30152214 0.65 CA12 (0.45) ALDH1A1MAPTS1PR2HSP90AA1OPRK1

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
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
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 (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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 ALDH1A1 1812/4885MAPT 3591/4885S1PR2 915/4885

“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.