SCHEMBL2172499

SCHEMBL2172499

O=C(O)C(=O)C1COc2cc(F)ccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.45
MAOB P27338 7/20 0.40
AKR1B1 P15121 1/20 0.38
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 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
SCHEMBL2173756 0.80 MAPT (0.39) CYP19A1MAOBAKR1B1
SCHEMBL2659525 0.77 ESR1 (0.41) CYP19A1MAOB
SCHEMBL12275818 0.72 PTGDR2 (0.32) MAOB
SCHEMBL8470357 0.71 CYP19A1 (0.52) CYP19A1MAOBAKR1B1LTB4RLTB4R2
SCHEMBL12275817 0.71 ACHE (0.31) MAOB
SCHEMBL2172568 0.71 CYP19A1 (0.46) CYP19A1AKR1B1
SCHEMBL8473045 0.70 CYP19A1 (0.41) CYP19A1MAOBLTB4RLTB4R2
SCHEMBL915090 0.70 MAOB (0.38) MAOB
SCHEMBL10897784 0.69 GRM7 (0.47) CYP19A1AKR1B1LTB4RLTB4R2
SCHEMBL12276942 0.69 ACHE (0.34) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
EP-2346832-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS Glaxo Group Limited (GB) 2011-07-27 EP disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 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-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GRM5, GRM1, GRM3 CYP19A1 4216/4885MAOB 3253/4885AKR1B1 3701/4885

“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.