SCHEMBL383419

SCHEMBL383419

CCC(C)CC(C)CCCCCCCCC=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
FAAH O00519 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
HIF1A Q16665 1/20 0.40
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL16557222 1.00 TSHR (0.46) TSHRFAAHTRPV1HIF1AADH1B
SCHEMBL16557382 1.00 TSHR (0.46) TSHRFAAHTRPV1HIF1AADH1B
SCHEMBL16557385 1.00 TSHR (0.46) TSHRFAAHTRPV1HIF1AADH1B
SCHEMBL1782961 0.92 HIF1A (0.43) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL15625952 0.90 HIF1A (0.42) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL23803605 0.90 TSHR (0.52) TSHRFAAHTRPV1HIF1AADH1B
SCHEMBL15326982 0.90 TSHR (0.52) TSHRFAAHTRPV1HIF1AADH1B
SCHEMBL23803614 0.90 TSHR (0.52) TSHRFAAHTRPV1HIF1AADH1B
SCHEMBL4575542 0.90 TSHR (0.52) TSHRFAAHTRPV1HIF1AADH1B
SCHEMBL294760 0.90 TSHR (0.52) TSHRFAAHTRPV1HIF1AADH1B

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 135 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022033-B2 Echinocandin/carbohydrate complexes ELI LILLY AND COMPANY (US) 2011-09-20 US claimed
US-20090258820-A1 ECHINOCANDIN/CARBOHYDRATE COMPLEXES ELI LILLY AND COMPANY 2009-10-15 US claimed
US-7550428-B2 Echinocandin/carbohydrate complexes ELI LILLY AND COMPANY (US) 2009-06-23 US claimed
EP-1204677-B1 CYCLOHEXAPEPTIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS A PHARMACEUTICAL AVENTIS PHARMA GMBH (DE) 2008-12-03 EP claimed
US-7166572-B1 Cyclohexapeptide compounds, processes for their production and their use as a pharmaceutical AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-01-23 US claimed
EP-1073675-B1 A PROCESS FOR THE CONVERSION OF ECHINOCANDIN CLASS OF PEPTIDES TO THEIR C4-HOMOTYROSINE MONODEOXY ANALOGUES AVENTIS PHARMA GMBH (DE) 2007-01-03 EP claimed
US-20060111277-A1 treating fungal infections; improved thermal stability and water solubility; releasing carbohydrate upon dispersion of the complex in water ELI LILLY AND COMPANY 2006-05-25 US claimed
US-7041637-B2 Echinocandin/carbohydrate complexes ELI LILLY AND COMPANY (US) 2006-05-09 US claimed
EP-1582204-A2 Echinocandin pharmaceutical formulations containing micelle-forming surfactants Eli Lilly & Company (US) 2005-10-05 EP claimed
EP-1156782-B1 ECHINOCANDIN PHARMACEUTICAL FORMULATIONS CONTAINING MICELLE-FORMING SURFACTANTS LILLY CO ELI (US) 2005-05-04 EP claimed
EP-1157030-A1 ECHINOCANDIN/CARBOHYDRATE COMPLEXES ELI LILLY AND COMPANY (US) 2001-11-28 EP claimed
EP-1156784-A1 PROCESSES FOR MAKING PHARMACEUTICAL ORAL ECB FORMULATIONS AND COMPOSITIONS ELI LILLY AND COMPANY (US) 2001-11-28 EP claimed
EP-1156782-A1 ECHINOCANDIN PHARMACEUTICAL FORMULATIONS CONTAINING MICELLE-FORMING SURFACTANTS ELI LILLY AND COMPANY (US) 2001-11-28 EP claimed
EP-1073675-A1 A PROCESS FOR THE CONVERSION OF ECHINOCANDIN CLASS OF PEPTIDES TO THEIR C4-HOMOTYROSINE MONODEOXY ANALOGUES Aventis Pharma Deutschland GmbH (DE) 2001-02-07 EP claimed
WO-2001007468-A2 NOVEL CYCLOHEXAPEPTIDE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS A PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-02-01 WO claimed
WO-2000052037-A1 ECHINOCANDIN/CARBOHYDRATE COMPLEXES ELI LILLY AND COMPANY (US) 2000-09-08 WO claimed
WO-2000051567-A1 PROCESSES FOR MAKING PHARMACEUTICAL ORAL ECB FORMULATIONS AND COMPOSITIONS ELI LILLY AND COMPANY (US) 2000-09-08 WO claimed
WO-2000051564-A1 ECHINOCANDIN PHARMACEUTICAL FORMULATIONS CONTAINING MICELLE-FORMING SURFACTANTS ELI LILLY AND COMPANY (US) 2000-09-08 WO claimed
US-6110933-A AN ENZYME INHIBITOR TREATING PANCREATITIS, HEPATITIS, CHRONIC RENAL FAILURE, ENDOTOXIN SHOCK, GRAM-NEGATIVE SEPTIC SHOCK, ARTHRITIS, RESPIRATORY DISEASE, HEART DISEASE, ALLERGIC DISEASE, THROMBOSIS, ARTERIOSCLEROSIS, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-29 US claimed
WO-1999055727-A1 A PROCESS FOR THE CONVERSION OF ECHINOCANDIN CLASS OF PEPTIDES TO THEIR C4-HOMOTYROSINE MONODEOXY ANALOGUES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-04 WO claimed

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-20060111277-A1 treating fungal infections; improved thermal stability and water solubility; releasing carbohydrate upon dispersion of the complex in water ERG28, TREH, MAN2A1 TSHR 4821/4885FAAH 3937/4885TRPV1 4115/4885
US-20090258820-A1 ECHINOCANDIN/CARBOHYDRATE COMPLEXES ERG28, TREH, MAN2A1 TSHR 4695/4885FAAH 4061/4885TRPV1 3830/4885

“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.