SCHEMBL4622248

SCHEMBL4622248

O=C(O)CC1CCCc2cc(OCc3ccc4ccccc4c3)ccc21

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.68
PPARD Q03181 12/20 0.58
PPARA Q07869 5/20 0.55
PPARG P37231 2/20 0.55

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
SCHEMBL3450821 0.88 FFAR1 (0.72) FFAR1PPARDPPARAPPARG
SCHEMBL3450438 0.86 FFAR1 (0.69) FFAR1PPARDPPARAPPARG
SCHEMBL3449531 0.85 FFAR1 (0.70) FFAR1PPARDPPARAPPARG
SCHEMBL4623076 0.85 FFAR1 (0.64) FFAR1PPARDPPARAPPARG
SCHEMBL14378591 0.85 PPARD (0.67) FFAR1PPARDPPARAPPARG
SCHEMBL3962234 0.83 PPARD (0.74) FFAR1PPARDPPARAPPARG
SCHEMBL3962238 0.83 PPARD (0.74) FFAR1PPARDPPARAPPARG
SCHEMBL3965769 0.83 PPARD (0.74) FFAR1PPARDPPARAPPARG
SCHEMBL15686923 0.83 FFAR1 (0.58) FFAR1PPARDPPARAPPARG
SCHEMBL15687072 0.83 FFAR1 (0.60) FFAR1PPARDPPARAPPARG

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
EP-0971878-B1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-03-26 EP disclosed
US-7256204-B2 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-14 US disclosed
US-20040077867-A1 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders THE UNIVERSITY OF TOKYO (JP) 2002-03-14 US disclosed
US-6310107-B1 (+)-6-(4-BIPHENYLYL)METHOXY-2-(2-(N,N-DIMETHYLAMINO)ETHYL)TETR ALIN, OR A SALT IS USEFUL FOR INHIBITING PRODUCTION AND/OR SECRETION OF AMYLOID-BETA PROTEIN TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-30 US 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-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders PARK7, PSEN1, PRNP FFAR1 1181/4885PPARD 3635/4885PPARA 2367/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 FFAR1 1024/4885PPARD 3746/4885PPARA 2200/4885

“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.