SCHEMBL1995408

SCHEMBL1995408

COC(=O)C(C)n1ccc2cc(OCCCBr)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
PPARG P37231 4/20 0.40
PPARD Q03181 4/20 0.40
PPARA Q07869 4/20 0.40
KMT2A Q03164 1/20 0.39
MCL1 Q07820 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
RECQL P46063 1/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
PDE2A O00408 2/20 0.38
P2RY12 Q9H244 2/20 0.38

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
SCHEMBL2000563 0.88 ITGB3 (0.44) ITGB3ITGAVPPARGPPARDPPARA
SCHEMBL1995447 0.81 SRD5A2 (0.52) KMT2AHDAC1HDAC6
SCHEMBL1995445 0.81 SRD5A2 (0.52) KMT2AHDAC1HDAC6
SCHEMBL2001952 0.80 PPARG (0.52) ITGB3ITGAVPPARGPPARDPPARA
SCHEMBL2005368 0.80 MCL1 (0.40) PPARGPPARDPPARAKMT2AMCL1
SCHEMBL2003846 0.78 ITGB3 (0.38) ITGB3ITGAVPPARGPPARDPPARA
SCHEMBL3683044 0.78 NPSR1 (0.42) ITGB3ITGAVPPARGKMT2AMCL1
SCHEMBL1998548 0.77 PPARG (0.36) ITGB3ITGAVPPARGPPARDPPARA
SCHEMBL12568444 0.77 PPARD (0.37) ITGB3ITGAVPPARGPPARDPPARA
SCHEMBL16627486 0.77 NTSR1 (0.44) KMT2AMCL1SLC6A2SLC6A4

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 ITGB3 4684/4885ITGAV 4461/4885PPARG 347/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT ITGB3 4684/4885ITGAV 4461/4885PPARG 347/4885

“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.