SCHEMBL3074699

SCHEMBL3074699

CN(C)CCCOc1ccc(Oc2ccc(C=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
HRH3 Q9Y5N1 2/20 0.54
LTA4H P09960 1/20 0.54
LSS P48449 1/20 0.53
CACNA1B Q00975 4/20 0.50
CACNA1H O95180 1/20 0.49
MAOB P27338 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL272824 0.95 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL5693237 0.93 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL11734984 0.90 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL209831 0.86 HRH3 (0.58) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL7458539 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL5692377 0.85 HRH3 (0.56) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
Glycine SCHEMBL8213965 0.84 BCHE (0.53) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL3073505 0.83 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL8371546 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
Cyclohexylamine SCHEMBL7801590 0.81 HRH3 (0.48) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT

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 15 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-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
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 ALDH1A1 4721/4885SMN1; SMN2 4243/4885KDM4E 1614/4885
US-20050181984-A1 Cyclic peptide antifungal agents and process for preparation thereof NGLY1, PTMS, HM13 ALDH1A1 4825/4885SMN1; SMN2 4229/4885KDM4E 1688/4885

“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.