SCHEMBL3072288

SCHEMBL3072288

O=Cc1ccc(-c2ccc(OCCC3CCCCC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.59
HPGD P15428 14/20 0.57
PTGES O14684 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MAOB P27338 1/20 0.46
GRM2 Q14416 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL3079542 0.98 HPGD (0.56) NFE2L2HPGDPTGESALDH1A1MAOB
SCHEMBL1299967 0.95 NFE2L2 (0.64) NFE2L2HPGDPTGESALDH1A1MAOB
SCHEMBL1300352 0.94 NFE2L2 (0.61) NFE2L2HPGDPTGESALDH1A1MAOB
SCHEMBL1299878 0.88 HPGD (0.62) NFE2L2HPGDPTGESALDH1A1LMNA
SCHEMBL16761852 0.88 HPGD (0.52) NFE2L2HPGDPTGESALDH1A1MAOB
SCHEMBL3085585 0.87 HPGD (0.46) NFE2L2HPGDPTGESALDH1A1GRM2
SCHEMBL1299546 0.87 HPGD (0.63) NFE2L2HPGDPTGESALDH1A1LMNA
SCHEMBL3067625 0.81 PARP15 (0.54) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3066094 0.81 HPGD (0.58) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3072287 0.81 NFE2L2 (0.60) NFE2L2HPGDPTGESGRM2HRH3

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-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
US-20050181984-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY 2005-08-18 US disclosed
US-6916784-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2005-07-12 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030220236-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY 2003-11-27 US disclosed
EP-0744405-B1 Cyclic peptide antifungal agents LILLY CO ELI (US) 2003-07-16 EP disclosed
EP-0736541-B1 Cyclic hexapeptide antifungal agents LILLY CO ELI (US) 2002-11-27 EP disclosed
EP-0561639-B1 Cyclic peptide antifungal agents and process for preparation thereof LILLY CO ELI (US) 2002-05-15 EP disclosed
US-6384013-B1 HETEROCYCLIC PEPTIDE FUNGICIDES ELI LILLY AND COMPANY 2002-05-07 US disclosed
US-5965525-A FOR INHIBITING FUNGAL AND PARASITIC ACTIVITIES ELI LILLY AND COMPANY (US) 1999-10-12 US disclosed
US-5652213-A CYCLIC HEXAPEPTIDE FUNGICIDES, PARASITICIDES ELI LILLY AND COMPANY (US) 1997-07-29 US disclosed
US-5646111-A Cyclic peptide antifungal Agents ELI LILLY AND COMPANY (US) 1997-07-08 US disclosed
WO-1996037510-A1 CYCLIC PEPTIDE ANTIFUNGAL AGENTS ELI LILLY AND COMPANY (US) 1996-11-28 WO disclosed
EP-0744405-A2 Cyclic peptide antifungal agents ELI LILLY AND COMPANY (US) 1996-11-27 EP disclosed
WO-1996031228-A1 CYCLIC PEPTIDE ANTIFUNGAL AGENTS ELI LILLY AND COMPANY (US) 1996-10-10 WO disclosed
EP-0736541-A1 Cyclic hexapeptide antifungal agents ELI LILLY AND COMPANY (US) 1996-10-09 EP disclosed
EP-0561639-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 1993-09-22 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 (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-20030220236-A1 Cyclic peptide antifungal agents and process for preparation thereof NGLY1, HM13, PTMS NFE2L2 4709/4885HPGD 2068/4885PTGES 4167/4885
US-20050181984-A1 Cyclic peptide antifungal agents and process for preparation thereof NGLY1, PTMS, HM13 NFE2L2 4824/4885HPGD 3197/4885PTGES 4569/4885

“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.