SCHEMBL6959448

SCHEMBL6959448

CCc1ccc(OCCc2coc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)c(CNC(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
CCR5 P51681 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
HSPA5 P11021 1/20 0.31
PTGS1 P23219 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 SCHEMBL6956171 0.94 ALDH1A1 (0.33) PPARGPPARACCR5ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6965523 0.93 ALDH1A1 (0.33) PPARGPPARACCR5ALDH1A1RAB9A
SCHEMBL7164030 0.88 PPARG (0.34) PPARGPPARACCR5
SCHEMBL6960256 0.85 PPARG (0.36) PPARGPPARAHSPA5PTGS1PTGS2
SCHEMBL6956014 0.84 PPARG (0.39) PPARGPPARA
SCHEMBL6964585 0.83 PPARG (0.34) PPARGPPARAPTGS1PTGS2
Hydrochloric Acid SCHEMBL6960503 0.82 PPARG (0.38) PPARGPPARAPTGS1PTGS2
Hydrochloric Acid SCHEMBL6958992 0.82 PPARG (0.34) PPARGPPARACCR5PTGS1PTGS2
SCHEMBL6960258 0.82 PPARG (0.34) PPARGPPARACCR5PTGS1
SCHEMBL6963879 0.82 GSK3B (0.34) PPARGPPARAPTGS1PTGS2

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-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-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS PANETTA JILL ANN (US) 2002-05-30 US disclosed
US-6380213-B1 PHENYL OXAZOLES, THIAZOLES, OXAZOLINES, OXADIAZOLES AND BENZOXAZOLES ELI LILLY AND COMPANY 2002-04-30 US disclosed
US-20010027194-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY 2001-10-04 US disclosed
EP-0971709-A4 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2001-04-11 EP disclosed
US-6166216-A Compounds useful as neuro-protective agents ELI LILLY AND COMPANY (US) 2000-12-26 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-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 (4 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-20010027194-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS NLN, PRDX5, TXN2 PPARG 458/4885PPARA 471/4885CCR5 3135/4885
US-20020177595-A1 Novel compounds useful as neuro-protective agents NLN, PRDX5, TXN2 PPARG 458/4885PPARA 471/4885CCR5 3135/4885
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS NLN, GAP43, TXN2 PPARG 888/4885PPARA 902/4885CCR5 3143/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 PPARG 888/4885PPARA 902/4885CCR5 3143/4885

“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.