SCHEMBL3582079

SCHEMBL3582079

CCOC1=CCCCC1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.40
L3MBTL1 Q9Y468 3/20 0.37
TP53 P04637 1/20 0.37
S1PR1 P21453 1/20 0.35
FFAR1 O14842 2/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PPARA Q07869 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL13349587 0.80 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL31207889 0.73 ALDH1A1 (0.32) L3MBTL1ALDH1A1KDM4EHPGDTAS1R3
SCHEMBL8240336 0.73 TP53 (0.42) L3MBTL1TP53FFAR1ALDH1A1TDP1
SCHEMBL3607996 0.73 GLA (0.34) PPARDL3MBTL1FFAR1GLA
SCHEMBL11781838 0.71 ALDH1A1 (0.33) ALDH1A1KDM4ETAS1R3TAS1R1
SCHEMBL9333582 0.68 KMT2A (0.30)
SCHEMBL10361424 0.67 TP53 (0.48) PPARDL3MBTL1TP53FFAR1ALDH1A1
SCHEMBL3595515 0.67 L3MBTL1 (0.38) L3MBTL1TP53S1PR1FFAR1ALDH1A1
SCHEMBL21682218 0.64 TP53 (0.37) PPARDL3MBTL1TP53FFAR1ALDH1A1
SCHEMBL21682181 0.64 TP53 (0.37) PPARDL3MBTL1TP53FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662173-B2 Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-26 US disclosed
EP-3027602-B1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2018-06-13 EP disclosed
US-20170342051-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-11-30 US disclosed
US-9765056-B2 Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-09-19 US disclosed
EP-3168217-A1 NOVEL INDOLE AND PYRROLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2017-05-17 EP disclosed
EP-3027602-A1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2016-06-08 EP disclosed
US-20160152599-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-06-02 US disclosed
WO-2015011396-A1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2015-01-29 WO disclosed
US-8203004-B2 Tetrahydroindole derivatives for treatment of alzheimer's disease MERCK, SHARP & DOHME LIMITED (GB) 2012-06-19 US disclosed
US-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 US disclosed
US-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2010-01-21 US disclosed
EP-1748982-B1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2009-07-29 EP disclosed
EP-1948603-A1 TETRAHYDROINDOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2008-07-30 EP disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 US disclosed
WO-2007054739-A1 TETRAHYDROINDOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-05-18 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 (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-20170342051-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RB1, IDO1, BCL2A1 PPARD 2146/4885L3MBTL1 3451/4885TP53 50/4885
US-10662173-B2 Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them RB1, IDO1, BCL2A1 PPARD 2146/4885L3MBTL1 3451/4885TP53 50/4885
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease APP, BACE1, CHAT PPARD 1035/4885L3MBTL1 3182/4885TP53 1962/4885
US-20160152599-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IDO1, IDO2, NFATC1 PPARD 2474/4885L3MBTL1 3110/4885TP53 26/4885
US-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease BACE1, BACE2, PSEN2 PPARD 1710/4885L3MBTL1 3835/4885TP53 3184/4885

“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.