SCHEMBL3085585

SCHEMBL3085585

O=Cc1ccc(-c2ccc(OCCC3CCN(C4CCCCC4)CC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.46
NFE2L2 Q16236 1/20 0.46
ACHE P22303 1/20 0.41
TEAD1 P28347 1/20 0.40
TEAD3 Q99594 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
PTGES O14684 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GRM2 Q14416 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
SCHEMBL3072288 0.87 NFE2L2 (0.59) HPGDNFE2L2HRH3PTGESALDH1A1
SCHEMBL3079542 0.86 HPGD (0.56) HPGDNFE2L2HRH3PTGESALDH1A1
SCHEMBL3085582 0.84 NFE2L2 (0.47) HPGDNFE2L2ACHETEAD1TEAD3
SCHEMBL1299967 0.83 NFE2L2 (0.64) HPGDNFE2L2HRH3PTGESALDH1A1
SCHEMBL1300352 0.82 NFE2L2 (0.61) HPGDNFE2L2HRH3PTGESALDH1A1
SCHEMBL16761852 0.79 HPGD (0.52) HPGDNFE2L2TEAD1TEAD3PTGES
SCHEMBL1299878 0.76 HPGD (0.62) HPGDNFE2L2HRH3PTGESALDH1A1
SCHEMBL1299546 0.75 HPGD (0.63) HPGDNFE2L2HRH3PTGESALDH1A1
SCHEMBL3078121 0.75 HRH3 (0.49) HRH3
SCHEMBL2006241 0.74 HRH3 (0.62) HRH3

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-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-0736541-B1 Cyclic hexapeptide antifungal agents LILLY CO ELI (US) 2002-11-27 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
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 HPGD 2068/4885NFE2L2 4709/4885ACHE 4861/4885
US-20050181984-A1 Cyclic peptide antifungal agents and process for preparation thereof NGLY1, PTMS, HM13 HPGD 3197/4885NFE2L2 4824/4885ACHE 4763/4885

“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.