SCHEMBL2002013

SCHEMBL2002013

COc1cc(C)ccc1OCCCBr

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 14/20 0.65
MAPT P10636 12/20 0.65
HPGD P15428 6/20 0.65
RAB9A P51151 5/20 0.65
NPC1 O15118 4/20 0.65
CYP2C9 P11712 3/20 0.65
CYP2C19 P33261 3/20 0.65
CYP1A2 P05177 2/20 0.65
L3MBTL4 Q8NA19 1/20 0.64
L3MBTL3 Q96JM7 1/20 0.64
ALDH1A1 P00352 2/20 0.63
POLB P06746 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
MEN1 O00255 1/20 0.63
USP2 O75604 1/20 0.63
ALOX12 P18054 1/20 0.63
MAPK1 P28482 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.60
CYP3A4 P08684 1/20 0.60

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
SCHEMBL804683 0.95 L3MBTL4 (0.67) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL3814694 0.93 ACHE (0.59) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL1998887 0.91 L3MBTL1 (0.65) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL10107391 0.84 L3MBTL1 (0.70) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL10695477 0.84 ACHE (0.61) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL11890493 0.84 L3MBTL4 (0.66) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL3373256 0.84 L3MBTL1 (0.67) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL29498307 0.82 MAPT (0.50) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL21483716 0.82 MAPT (0.50) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL12697215 0.82 L3MBTL4 (0.64) L3MBTL1MAPTHPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
EP-1620088-A4 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS BAYER PHARMACEUTICALS CORP (US) 2007-08-29 EP disclosed
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 US disclosed
EP-1620088-A2 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS Bayer Pharmaceuticals Corporation (US) 2006-02-01 EP disclosed
WO-2004098498-A2 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-18 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT L3MBTL1 3646/4885MAPT 1349/4885HPGD 591/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT L3MBTL1 3646/4885MAPT 1349/4885HPGD 591/4885

“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.