SCHEMBL6955837

SCHEMBL6955837

CCN(C)Cc1ccc(C(O)CCc2coc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.33
PTGS2 P35354 3/20 0.33
CNR2 P34972 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
CNR1 P21554 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL6956018 0.84 PPARG (0.40) PTGS1PTGS2CNR2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6960508 0.83 PPARG (0.39) PTGS1PTGS2CNR2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6966365 0.83 PPARG (0.36) PTGS1PTGS2
SCHEMBL6955830 0.82 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL6965094 0.81 LMNA (0.34) PTGS1PTGS2CNR2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6956163 0.80 PPARG (0.35) PTGS1PTGS2CNR2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6965517 0.79 PPARG (0.35) PTGS1PTGS2CNR2ALDH1A1LMNA
SCHEMBL6965800 0.79 CNR1 (0.32) PTGS1PTGS2CNR2CNR1
SCHEMBL6964581 0.76 PPARG (0.38) CNR1
SCHEMBL6963870 0.75 PPARG (0.37) TSHR

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 17 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-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 (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 PTGS1 380/4885PTGS2 396/4885CNR2 386/4885
US-20020177595-A1 Novel compounds useful as neuro-protective agents NLN, PRDX5, TXN2 PTGS1 380/4885PTGS2 396/4885CNR2 386/4885
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS NLN, GAP43, TXN2 PTGS1 453/4885PTGS2 416/4885CNR2 415/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 PTGS1 453/4885PTGS2 416/4885CNR2 415/4885

“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.