SCHEMBL6958646

SCHEMBL6958646

CC(C)(C)c1cc(-c2nc(CCOc3ccc(C=O)cc3)co2)cc(C(C)(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.42
PPARA Q07869 5/20 0.42
FFAR1 O14842 3/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MIF P14174 1/20 0.34

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
SCHEMBL6966942 0.95 PPARG (0.38) PPARGPPARAFFAR1ALDH1A1LMNA
SCHEMBL6966158 0.89 PPARA (0.41) PPARGPPARAFFAR1
SCHEMBL6956424 0.89 PPARG (0.40) PPARGPPARAFFAR1ALDH1A1LMNA
SCHEMBL6967228 0.88 PPARG (0.36) PPARGPPARAALDH1A1PTGS1
SCHEMBL6959235 0.87 PPARG (0.35) PPARGPPARAALDH1A1PTGS1
SCHEMBL6954154 0.87 PPARG (0.43) PPARGPPARAFFAR1MAPTPTGS1
SCHEMBL6965661 0.86 PPARG (0.42) PPARGPPARAFFAR1PTGS1
SCHEMBL6958967 0.86 PPARG (0.44) PPARGPPARAFFAR1ALDH1A1LMNA
SCHEMBL6961259 0.85 GSK3B (0.35) PPARGPPARAALDH1A1LMNAMAPT
SCHEMBL6960012 0.85 PPARG (0.42) PPARGPPARAFFAR1HPGDPTGS1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369954-A1 QUANTUM DOT COMPOSITIONS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2020-11-26 US disclosed
US-20200262979-A1 HYDROXYL-FUNCTIONAL POLYAMINE SILICONE LIGAND SUITABLE FOR QUANTUM DOT COMPOSITIONS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2020-08-20 US disclosed
US-20200216752-A1 HYDROXYL-FUNCTIONAL UNSATURATED POLYAMINE SILICONE LIGAND SUITABLE FOR QUANTUM DOT COMPOSITIONS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2020-07-09 US disclosed
US-6579871-B2 Phenyl oxazoles or thiazoles ELI LILLY AND COMPANY 2003-06-17 US disclosed
EP-0971709-B1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2003-05-21 EP disclosed
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents PANETTA JILL ANN (US) 2003-03-13 US disclosed
US-20020177595-A1 Novel compounds useful as neuro-protective agents PANETTA JILL ANN (US) 2002-11-28 US disclosed
US-6472387-B1 Methods of using compounds as neuro-protective agents ELI LILLY AND COMPANY 2002-10-29 US disclosed
US-6448396-B2 2-((3,5-DIALKYL-4-HYDROXYPHENYL-4-(2-(AMINOALKYLPHENOXY)ETHYL) OXAZOLES; ANTIISCHEMIC AGENTS; REPERFUSION INJURY OF PERIPHERAL ORGANS; FREE RADICAL ANTAGONISTS; PARKINSON'S AND ALZHEIMER'S DISESES; DOWN'S SYNDROME; AMYOTROPHIC LATERAL S. ELI LILLY AND COMPANY 2002-09-10 US disclosed
US-6423709-B1 FOR THERAPY OF ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, AMYTROPHIC LATERAL SCLEROSIS OR CEREBRAL TRAUMA IN A MAMMAL ELI LILLY AND COMPANY 2002-07-23 US disclosed
US-5942530-A Method for treating pain ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
WO-1999018091-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1999-04-15 WO disclosed
EP-0908186-A2 Method for treating pain ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed
EP-0908454-A2 Oxazoles, thiazoles, oxazolines, oxadiazoles and benzoxazoles useful as neuro-protective agents ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed
EP-0908180-A2 Use of phenyl oxazole or phenyl thiazole derivatives for treating pain ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed
EP-0906755-A2 Use of phenyl oxazole or phenyl thiazole derivatives for treating neuropathic pain ELI LILLY AND COMPANY (US) 1999-04-07 EP disclosed
WO-1999009829-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1999009979-A1 METHOD FOR TREATING NEUROPATHIC PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1999009980-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1998015274-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1998-04-16 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 (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-20020177595-A1 Novel compounds useful as neuro-protective agents NLN, PRDX5, TXN2 PPARG 458/4885PPARA 471/4885FFAR1 1889/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 PPARG 888/4885PPARA 902/4885FFAR1 2890/4885

“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.