SCHEMBL2007146

SCHEMBL2007146

COC(=O)C(C)n1cc(C)c2cc(OCc3ccccc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
PLA2G2A P14555 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
SRD5A2 P31213 1/20 0.45
LMNA P02545 1/20 0.45
LTA4H P09960 1/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PKM P14618 1/20 0.43
EDNRA P25101 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
LTB4R Q15722 2/20 0.43
LTB4R2 Q9NPC1 2/20 0.43

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
SCHEMBL13698926 0.90 MEN1 (0.48) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL2005368 0.81 MCL1 (0.40) MEN1KMT2APLA2G2APPARGPPARD
SCHEMBL1995447 0.80 SRD5A2 (0.52) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL1995445 0.80 SRD5A2 (0.52) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL31130077 0.77 SLC6A2 (0.45) MEN1KMT2ALMNA
SCHEMBL18500627 0.76 MAPK14 (0.52) KMT2ALTA4HMAOB
SCHEMBL31129875 0.76 POLB (0.39) MEN1KMT2ALMNA
SCHEMBL31130068 0.75 KRAS (0.40) PLA2G2ALMNALTB4R
SCHEMBL8544882 0.75 NPC1 (0.53) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL8836224 0.74 SPHK2 (0.48) MEN1NPC1RAB9AKMT2APLA2G2A

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 11 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
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 MEN1 2247/4885NPC1 781/4885RAB9A 3033/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT MEN1 2247/4885NPC1 781/4885RAB9A 3033/4885

“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.