SCHEMBL4680551

SCHEMBL4680551

COc1cccc(-c2nc(CCOc3ccc4c(c3)CCC4OC(C)=O)c(C)s2)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.74
PPARG P37231 19/20 0.74
PPARD Q03181 1/20 0.47

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
SCHEMBL4682968 0.92 PPARA (0.73) PPARAPPARGPPARD
SCHEMBL4680479 0.92 PPARA (0.73) PPARAPPARGPPARD
SCHEMBL4686009 0.91 PPARA (0.73) PPARAPPARGPPARD
SCHEMBL4679085 0.91 PPARA (0.73) PPARAPPARGPPARD
SCHEMBL4684230 0.90 PPARA (0.74) PPARAPPARGPPARD
SCHEMBL4683176 0.89 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL4683029 0.88 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL4682664 0.88 PPARA (0.65) PPARAPPARGPPARD
SCHEMBL4683063 0.88 PPARA (0.75) PPARAPPARGPPARD
SCHEMBL4682660 0.87 PPARA (0.64) PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414809-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER CORP (US) 2008-03-12 EP claimed
US-7112597-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-09-26 US claimed
US-20050075338-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2005-04-07 US claimed
EP-1414809-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION Bayer Corporation (US) 2004-05-06 EP claimed
US-20030216391-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC 2003-11-20 US claimed
WO-2003011842-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORPORATION (US) 2003-02-13 WO claimed

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-20050075338-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP PPARA 365/4885PPARG 578/4885PPARD 978/4885
US-20030216391-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP PPARA 365/4885PPARG 578/4885PPARD 978/4885

“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.