SCHEMBL9910207

SCHEMBL9910207

CCOOCC(C(=O)OCC)C1CCc2cc(O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.50
ESR2 Q92731 7/20 0.50
HSD17B1 P14061 2/20 0.41
PPARA Q07869 6/20 0.39
PPARG P37231 5/20 0.39
ECE1 P42892 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL820829 0.88 ESR1 (0.57) ESR1ESR2HSD17B1PPARAPPARG
SCHEMBL13925659 0.83 ESR1 (0.56) ESR1ESR2HSD17B1PPARAPPARG
SCHEMBL821080 0.78 ESR1 (0.57) ESR1ESR2PPARAPPARGECE1
SCHEMBL1400682 0.78 ESR1 (0.57) ESR1ESR2PPARAPPARGECE1
SCHEMBL820847 0.76 ESR1 (0.61) ESR1ESR2PPARAPPARG
SCHEMBL5789865 0.76 ESR1 (0.61) ESR1ESR2PPARAPPARG
SCHEMBL6310197 0.76 ESR1 (0.61) ESR1ESR2PPARAPPARG
SCHEMBL1400719 0.76 ESR1 (0.61) ESR1ESR2PPARAPPARG
SCHEMBL820547 0.76 ESR1 (0.61) ESR1ESR2PPARAPPARG
SCHEMBL20222854 0.76 ESR1 (0.61) ESR1ESR2PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. 2012-06-07 US disclosed
WO-2012074980-A2 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISORDERS AND LIVER DISORDERS USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2012-06-07 WO 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
WO-2010141696-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2010-12-09 WO disclosed
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation LOWE DEREK B 2009-02-19 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

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 ESR1 3666/4885ESR2 3935/4885HSD17B1 149/4885
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP ESR1 3666/4885ESR2 3935/4885HSD17B1 149/4885
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP ESR1 3666/4885ESR2 3935/4885HSD17B1 149/4885
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation INSR, ACACA, IAPP ESR1 3666/4885ESR2 3935/4885HSD17B1 149/4885
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES APP, MAPT, TNF ESR1 2205/4885ESR2 2366/4885HSD17B1 213/4885

“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.