SCHEMBL2004480

SCHEMBL2004480

O=C(O)Cc1c[nH]c2ccc(OCCCOc3ccc(-c4nc5c(s4)CCCC5)cc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.57
PPARA Q07869 7/20 0.57
PPARG P37231 1/20 0.53
KDM4E B2RXH2 1/20 0.47
FFAR4 Q5NUL3 4/20 0.45
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LTA4H P09960 2/20 0.40
PLA2G2A P14555 2/20 0.40

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
SCHEMBL1995078 0.90 PPARD (0.62) PPARDPPARAPPARGKDM4E
SCHEMBL1386255 0.89 PPARD (0.65) PPARDPPARAPPARGKDM4E
SCHEMBL2004479 0.83 PPARD (0.59) PPARDPPARAFFAR4LMNA
SCHEMBL2000807 0.82 PPARD (0.58) PPARDPPARAPPARGKDM4EMTNR1A
SCHEMBL2002165 0.77 PPARD (0.58) PPARDPPARA
SCHEMBL2004397 0.77 PPARD (0.60) PPARDPPARA
SCHEMBL2000348 0.77 PPARD (0.53) PPARDPPARAFFAR4
SCHEMBL2005820 0.76 PPARD (0.62) PPARDPPARA
SCHEMBL1386276 0.76 PPARD (0.64) PPARDPPARAPPARG
SCHEMBL6225150 0.74 PPARD (0.42) PPARDPPARAPPARGKDM4E

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 4 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-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-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 US 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 PPARD 452/4885PPARA 243/4885PPARG 347/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885PPARG 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.