SCHEMBL1400399

SCHEMBL1400399

CCC[C@H](C(=O)O)[C@@H]1CCc2cc(OC)ccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.57
PPARA Q07869 12/20 0.57
ECE1 P42892 5/20 0.48
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
SLC6A9 P48067 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
SCHEMBL1400670 0.90 PPARA (0.62) PPARGPPARA
SCHEMBL1400312 0.90 PPARA (0.62) PPARGPPARA
SCHEMBL821077 0.90 PPARA (0.62) PPARGPPARA
SCHEMBL1400250 0.90 PPARA (0.62) PPARGPPARA
SCHEMBL6226923 0.90 PPARA (0.62) PPARGPPARA
SCHEMBL27607280 0.84 ESR1 (0.55) PPARGPPARAECE1
SCHEMBL1400683 0.84 ESR1 (0.55) PPARGPPARAECE1
SCHEMBL6229546 0.82 PPARG (0.53) PPARGPPARAECE1MMEACE
SCHEMBL821387 0.82 PPARG (0.53) PPARGPPARAECE1MMEACE
SCHEMBL20214136 0.82 PPARG (0.53) PPARGPPARAECE1MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552203-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-10-08 US disclosed
US-8541618-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-09-24 US disclosed
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110152331-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-03-17 US disclosed
EP-1578715-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORP (US) 2011-03-02 EP disclosed
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US disclosed
US-7358386-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-15 US disclosed
US-20060205723-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-09-14 US disclosed
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-20 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 (5 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-20110152331-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP PPARG 578/4885PPARA 365/4885ECE1 773/4885
US-20060205723-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP PPARG 578/4885PPARA 365/4885ECE1 773/4885
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP PPARG 578/4885PPARA 365/4885ECE1 773/4885
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP PPARG 578/4885PPARA 365/4885ECE1 773/4885
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP PPARG 578/4885PPARA 365/4885ECE1 773/4885

“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.