SCHEMBL6282288

SCHEMBL6282288

COC(=O)c1ccc(OCc2ccccc2)cc1CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
LTB4R Q15722 1/20 0.55
LTB4R2 Q9NPC1 1/20 0.55
FFAR4 Q5NUL3 2/20 0.49
FFAR1 O14842 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PLA2G2A P14555 1/20 0.48
ABCB1 P08183 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LNPEP Q9UIQ6 1/20 0.47
HIF1A Q16665 1/20 0.46

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
SCHEMBL6279915 0.85 MAOB (0.53) MAOBLTB4RLTB4R2NPC1RAB9A
SCHEMBL3962253 0.83 MAOB (0.61) MAOBFFAR4NPC1RAB9ASMN1; SMN2
SCHEMBL629952 0.83 MAOB (0.74) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7901066 0.83 MAOB (0.54) MAOBLTB4RLTB4R2FFAR4FFAR1
SCHEMBL7881166 0.82 MAOB (0.59) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22692220 0.82 MAOB (0.59) MAOBLTB4RLTB4R2NPC1RAB9A
SCHEMBL22873361 0.82 MAOB (0.59) MAOBLTB4RLTB4R2NPC1RAB9A
SCHEMBL7914107 0.82 MAOB (0.53) MAOBLTB4RLTB4R2FFAR4FFAR1
SCHEMBL23526243 0.81 MAOB (0.70) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21924287 0.81 MAOB (0.58) MAOBFFAR4NPC1RAB9ASMN1; SMN2

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-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-29 US disclosed
US-6919371-B2 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-07-19 US disclosed
EP-1389202-B1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORP (US) 2004-09-29 EP disclosed
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2004-04-15 US disclosed
EP-1389202-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Pharmaceuticals Corporation (US) 2004-02-18 EP disclosed
US-6660752-B2 Adrenergic blocking agents BAYER PHARMACEUTICALS CORPORATION 2003-12-09 US disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 US disclosed
WO-2002085891-A1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-10-31 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 (3 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-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 MAOB 1024/4885LTB4R 652/4885LTB4R2 491/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 MAOB 1024/4885LTB4R 652/4885LTB4R2 491/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 MAOB 1024/4885LTB4R 652/4885LTB4R2 491/4885

“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.