SCHEMBL3074898

SCHEMBL3074898

O=Cc1ccc(C#Cc2ccc(OC3CCCCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.50
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PARP10 Q53GL7 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
FAAH O00519 1/20 0.39
EPHX2 P34913 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
SCHEMBL4058730 0.90 HPGD (0.56) HPGDALDH1A1KDM4EPARP10FAAH
SCHEMBL510687 0.90 HPGD (0.56) HPGDALDH1A1KDM4EPARP10FAAH
SCHEMBL510213 0.88 ALDH1A1 (0.55) HPGDALDH1A1KDM4EPARP10FAAH
SCHEMBL3636729 0.87 ALDH1A1 (0.56) HPGDALDH1A1KDM4EPARP10FAAH
SCHEMBL3074895 0.82 ACACB (0.53) ACACBHPGDPARP10HRH3
SCHEMBL833489 0.81 ALDH1A1 (0.58) HPGDALDH1A1KDM4EPARP10FAAH
SCHEMBL4060325 0.81 RAB9A (0.50) ACACBHPGDALDH1A1KDM4EPARP10
SCHEMBL4050773 0.79 RAB9A (0.51) ACACBHPGDALDH1A1KDM4EPARP10
SCHEMBL15382502 0.76 ALDH1A1 (0.53) HPGDALDH1A1KDM4EPARP10HRH3
SCHEMBL2006241 0.76 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 18 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-5932543-A INHIBITING FUNGAL AND PARASITIC ACTIVITY ELI LILLY AND COMPANY (US) 1999-08-03 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 ACACB 4323/4885HPGD 2068/4885ALDH1A1 4721/4885
US-20050181984-A1 Cyclic peptide antifungal agents and process for preparation thereof NGLY1, PTMS, HM13 ACACB 3654/4885HPGD 3197/4885ALDH1A1 4825/4885

“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.