SCHEMBL3079542

SCHEMBL3079542

O=Cc1ccc(-c2ccc(OCCC3CCCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.56
NFE2L2 Q16236 1/20 0.56
PTGES O14684 1/20 0.47
MAOB P27338 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM2 Q14416 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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 0.98 NFE2L2 (0.59) HPGDNFE2L2PTGESMAOBALDH1A1
SCHEMBL1300352 0.95 NFE2L2 (0.61) HPGDNFE2L2PTGESMAOBALDH1A1
SCHEMBL1299967 0.94 NFE2L2 (0.64) HPGDNFE2L2PTGESMAOBALDH1A1
SCHEMBL16761852 0.89 HPGD (0.52) HPGDNFE2L2PTGESMAOBALDH1A1
SCHEMBL1299878 0.86 HPGD (0.62) HPGDNFE2L2PTGESALDH1A1LMNA
SCHEMBL3085585 0.86 HPGD (0.46) HPGDNFE2L2PTGESALDH1A1GRM2
SCHEMBL1299546 0.85 HPGD (0.63) HPGDNFE2L2PTGESALDH1A1LMNA
SCHEMBL3067625 0.83 PARP15 (0.54) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL30973653 0.82 HPGD (0.50) HPGDNFE2L2ALDH1A1LMNAMAPT
SCHEMBL18789967 0.82 ALDH1A1 (0.48) HPGDNFE2L2PTGESMAOBALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220236-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY 2003-11-27 US claimed
EP-0561639-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 1993-09-22 EP claimed
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
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
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 4709/4885PTGES 4167/4885
US-20050181984-A1 Cyclic peptide antifungal agents and process for preparation thereof NGLY1, PTMS, HM13 HPGD 3197/4885NFE2L2 4824/4885PTGES 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.