SCHEMBL2601976

SCHEMBL2601976

CC(=O)NCCc1ccc(OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.66
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
PTGS1 P23219 1/20 0.58
BLM P54132 1/20 0.58
HIF1A Q16665 1/20 0.58
HSD17B10 Q99714 1/20 0.58
F13A1 P00488 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
DRD1 P21728 2/20 0.54
ADRB2 P07550 1/20 0.54
ADRA2A P08913 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2C P18825 1/20 0.54
ADRA1A P35348 1/20 0.54
DRD3 P35462 1/20 0.54
MTNR1A P48039 2/20 0.52

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
SCHEMBL179002 0.91 TRPV1 (0.66) TRPV1ALDH1A1LMNAMAPTDRD1
Hydrochloric Acid SCHEMBL4119472 0.88 TRPV1 (0.63) TRPV1KDM4EALDH1A1HPGDPTGS1
SCHEMBL179009 0.88 TRPV1 (0.79) TRPV1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3938664 0.88 TRPV1 (0.63) TRPV1ALDH1A1MAPTSMN1; SMN2DRD1
SCHEMBL28515325 0.88 KDM4E (0.68) TRPV1KDM4EALDH1A1LMNAMAPT
SCHEMBL179093 0.87 TRPV1 (0.77) TRPV1ALDH1A1MAPTSMN1; SMN2DRD1
Hydrochloric Acid SCHEMBL4111160 0.87 TRPV1 (0.62) TRPV1ALDH1A1MAPTSMN1; SMN2DRD1
SCHEMBL178999 0.87 TRPV1 (0.69) TRPV1DRD1ADRB2ADRA2ADRD2
SCHEMBL8348726 0.86 ADRB2 (0.71) TRPV1KDM4EALDH1A1LMNAMAPT
SCHEMBL179007 0.85 TRPV1 (0.60) TRPV1KDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238124-A1 ACETYLATED PRODRUGS FOR DELIVERY ACROSS THE BLOOD-BRAIN BARRIER THE GENERAL HOSPITAL CORPORATION (US) 2021-08-05 US disclosed
WO-2019204808-A1 ACETYLATED PRODRUGS FOR DELIVERY ACROSS THE BLOOD-BRAIN BARRIER THE GENERAL HOSPITAL CORPORATION (US) 2019-10-24 WO disclosed
US-8163957-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as alzheimer's disease, type 2 diabetes and parkinson's disease PROTEOTECH, INC. (US) 2012-04-24 US disclosed
US-20110172239-A1 Compounds, Compositions and Methods for the Treatment of Amyloid Diseases and Synucleinopathies such as Alzheimer's Disease, Type 2 Diabetes and Parkinson's Disease PROTAMED, INC. 2011-07-14 US disclosed
US-5232923-A Stimulates production of nerve growth factor; administering for treatment of regressive disorders of the central nervous system MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-08-03 US disclosed
EP-0333522-A2 Catechol derivatives and pharmaceutical preparations containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-20 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-20210238124-A1 ACETYLATED PRODRUGS FOR DELIVERY ACROSS THE BLOOD-BRAIN BARRIER AADAC, ACAT2, AANAT TRPV1 2185/4885KDM4E 1085/4885ALDH1A1 576/4885
US-20110172239-A1 Compounds, Compositions and Methods for the Treatment of Amyloid Diseases and Synucleinopathies such as Alzheimer's Disease, Type 2 Diabetes and Parkinson's Disease IAPP, SNCA, APP TRPV1 4061/4885KDM4E 3701/4885ALDH1A1 2631/4885

“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.