SCHEMBL6959374

SCHEMBL6959374

COc1cc(-c2nc(CCO)co2)cc(OC)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 4/20 0.42
MGAM O43451 3/20 0.42
SI P14410 3/20 0.42
MGAM2 Q2M2H8 3/20 0.42
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
FFAR1 O14842 1/20 0.40
CYP3A4 P08684 1/20 0.40
PPARA Q07869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL6964328 0.80 FFAR1 (0.41) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL6955014 0.78 BCHE (0.41) FFAR1PPARAMEN1KMT2A
SCHEMBL6955017 0.78 BCHE (0.40) KDM4ETSHRFFAR1CYP3A4PPARA
SCHEMBL4278843 0.77 MAPK1 (0.48) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL27518219 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL4280795 0.77 KDM4E (0.54) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL3457611 0.76 CYP4F2 (0.54) ALDH1A1KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL6955024 0.76 GAA (0.39) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL7658044 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL4271285 0.75 KDM4E (0.52) ALDH1A1KDM4EHPGDTSHRHSD17B10

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 14 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
CN-1281442-A Novel compounds useful as neuro-protective agents LILLY CO ELI (US) 2001-01-24 CN 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-0908454-A2 Oxazoles, thiazoles, oxazolines, oxadiazoles and benzoxazoles useful as neuro-protective agents ELI LILLY AND COMPANY (US) 1999-04-14 EP 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 ALDH1A1 1209/4885KDM4E 4435/4885HPGD 892/4885
US-20020177595-A1 Novel compounds useful as neuro-protective agents NLN, PRDX5, TXN2 ALDH1A1 1209/4885KDM4E 4435/4885HPGD 892/4885
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS NLN, GAP43, TXN2 ALDH1A1 1309/4885KDM4E 4527/4885HPGD 920/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 ALDH1A1 1309/4885KDM4E 4527/4885HPGD 920/4885

“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.