SCHEMBL6960256

SCHEMBL6960256

CCCNCCc1cc(CC)ccc1OCCc1coc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
PTGS1 P23219 3/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
GSK3B P49841 1/20 0.31
HSPA5 P11021 1/20 0.31
SCN2A Q99250 2/20 0.31
PTGS2 P35354 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
Hydrochloric Acid SCHEMBL6960014 0.92 FFAR1 (0.33) PPARGPPARAPTGS1GAAKMT2A
Hydrochloric Acid SCHEMBL8483846 0.87 PPARG (0.33) PPARGPPARAGSK3B
SCHEMBL6959448 0.85 PPARG (0.36) PPARGPPARAPTGS1HSPA5PTGS2
SCHEMBL6967142 0.83 PPARG (0.36) PPARGPPARA
SCHEMBL6960258 0.82 PPARG (0.34) PPARGPPARAPTGS1KMT2AGSK3B
SCHEMBL6964585 0.81 PPARG (0.34) PPARGPPARAPTGS1KMT2AGSK3B
Hydrochloric Acid SCHEMBL6960783 0.81 PPARG (0.39) PPARGPPARAPTGS1GAAKMT2A
Hydrochloric Acid SCHEMBL6958992 0.81 PPARG (0.34) PPARGPPARAPTGS1SCN2APTGS2
Hydrochloric Acid SCHEMBL6956163 0.80 PPARG (0.35) PPARGPPARAPTGS1GAAPTGS2
Hydrochloric Acid SCHEMBL6965517 0.79 PPARG (0.35) PPARGPPARAPTGS1GAAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579871-B2 Phenyl oxazoles or thiazoles ELI LILLY AND COMPANY 2003-06-17 US claimed
EP-0971709-B1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2003-05-21 EP claimed
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents PANETTA JILL ANN (US) 2003-03-13 US claimed
US-20020177595-A1 Novel compounds useful as neuro-protective agents PANETTA JILL ANN (US) 2002-11-28 US claimed
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 claimed
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS PANETTA JILL ANN (US) 2002-05-30 US claimed
EP-0971709-A4 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2001-04-11 EP claimed
US-6156748-A Compounds useful as neuro-protective agents ELI LILLY AND COMPANY (US) 2000-12-05 US claimed
EP-0971709-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 2000-01-19 EP claimed
WO-1998015274-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1998-04-16 WO claimed
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-6156748-A Compounds useful as neuro-protective agents ELI LILLY AND COMPANY (US) 2000-12-05 US disclosed
EP-0971709-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 2000-01-19 EP disclosed
WO-1999018091-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY (US) 1999-04-15 WO 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
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 (3 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 471/4885SIGMAR1 443/4885
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS NLN, GAP43, TXN2 PPARG 888/4885PPARA 902/4885SIGMAR1 398/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 PPARG 888/4885PPARA 902/4885SIGMAR1 398/4885

“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.