SCHEMBL1578074

SCHEMBL1578074

CCCC(C)(C)CC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
FDPS P14324 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
BHMT Q93088 3/20 0.31
SMPD1 P17405 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
SCHEMBL18760169 0.82 FFAR1 (0.54) FDPSTDP1FFAR1CPT2SMPD1
SCHEMBL16280996 0.81 KDM4E (0.42) LMNAHSD17B10FDPSTDP1FFAR1
SCHEMBL21626032 0.80 FFAR1 (0.39) LMNAHSD17B10TDP1FFAR1CPT2
SCHEMBL5521030 0.80 FFAR1 (0.62) FDPSTDP1FFAR1CPT2KDM4E
SCHEMBL276192 0.79
SCHEMBL11566635 0.79 TDP1 (0.42) LMNAHSD17B10FDPSTDP1FFAR1
SCHEMBL21625335 0.78 LMNA (0.42) LMNAHSD17B10FDPSTDP1ALOX15
SCHEMBL1409491 0.77 TSHR (0.43) LMNAHSD17B10FDPSTDP1FFAR1
SCHEMBL974936 0.77 FFAR1 (0.65) LMNAHSD17B10TDP1FFAR1CPT2
SCHEMBL1784497 0.77 TDP1 (0.41) LMNAHSD17B10FDPSTDP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160443-A1 COMPOUNDS USEFUL FOR TREATING NEUROLOGICAL DISORDERS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2010-06-24 US claimed
US-20090182048-A1 Compounds Useful For Treating Neurological Disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2009-07-16 US claimed
WO-2009018132-A9 METHODS AND SYSTEMS FOR ATTENUATING THE TOLERANCE RESPONSE TO A DRUG NEUROVISTA CORP (US) 2009-06-25 WO claimed
WO-2009018132-A2 METHODS AND SYSTEMS FOR ATTENUATING THE TOLERANCE RESPONSE TO A DRUG NEUROVISTA CORPORATION (US) 2009-02-05 WO claimed
US-20090030403-A1 Methods and Systems for Attenuating the Tolerance Response to a Drug CYBERONICS, INC. 2009-01-29 US claimed
US-20060004098-A1 Compounds useful for treating neurological disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-01-05 US claimed
US-6969732-B2 Propylisopropyl acetic acid and propylisopropyl acetamide stereoisomers, a method for their synthesis and pharmaceutical compositions containing them YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-11-29 US claimed
EP-1077926-B1 PROPYLISOPROPYL ACETAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RES DEV CO (IL) 2005-02-23 EP claimed
US-20030212131-A1 Propylisopropyl acetic acid and propylisopropyl acetamide stereoisomers, a method for their synthesis and pharmaceutical compositions containing them BIALER MEIR (IL) 2003-11-13 US claimed
US-6630602-B1 Racemic propylisopropyl acetic acid and propylisopropyl acetamide and their isomers in their racemic and stereospecific forms, for use in treatment of neurological and psychotic disorders, and affective disorders and to treat YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-10-07 US claimed
EP-1077926-A1 PROPYLISOPROPYL ACETIC ACID AND PROPYLISOPROPYL ACETAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-02-28 EP claimed
WO-1999054282-A1 PROPYLISOPROPYL ACETIC ACID AND PROPYLISOPROPYL ACETAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY (IL) 1999-10-28 WO claimed
WO-2024105084-A1 USE OF LIPIDS CONJUGATED WITH POLY(ETHYLENE OXIDE) HAVING C1 TO C3-ALKYLOXYMETHYL SIDE CHAINS Johannes Gutenberg-Universität Mainz (DE) 2024-05-23 WO disclosed
US-20200318195-A1 Bivalent Nucleic Acid Ligands and Uses Therefor CARNEGIE MELLON UNIVERSITY 2020-10-08 US disclosed
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
EP-2483237-B1 AMIDE DERIVATIVES OF VALPROIC ACID AND USES THEREOF YISSUM RES DEV CO (IL) 2016-05-11 EP disclosed
WO-1999054282-A1 PROPYLISOPROPYL ACETIC ACID AND PROPYLISOPROPYL ACETAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY (IL) 1999-10-28 WO disclosed
WO-1999054282-A1 PROPYLISOPROPYL ACETIC ACID AND PROPYLISOPROPYL ACETAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY (IL) 1999-10-28 WO disclosed
EP-0546409-B1 Method for the preparation of tetrahydropyrancarboxylic esters BASF AG (DE) 1998-10-21 EP disclosed
EP-0546409-A1 Method for the preparation of tetrahydropyrancarboxylic esters BASF Aktiengesellschaft (DE) 1993-06-16 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 (5 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-20030212131-A1 Propylisopropyl acetic acid and propylisopropyl acetamide stereoisomers, a method for their synthesis and pharmaceutical compositions containing them ADCYAP1R1, GRIN2A, PTGER1 LMNA 3641/4885HSD17B10 792/4885FDPS 329/4885
US-20060004098-A1 Compounds useful for treating neurological disorders GAP43, CLN6, NLN LMNA 1338/4885HSD17B10 1469/4885FDPS 350/4885
US-20090182048-A1 Compounds Useful For Treating Neurological Disorders GAP43, CLN6, NLN LMNA 1338/4885HSD17B10 1469/4885FDPS 350/4885
US-20100160443-A1 COMPOUNDS USEFUL FOR TREATING NEUROLOGICAL DISORDERS GAP43, CLN6, NLN LMNA 1338/4885HSD17B10 1469/4885FDPS 350/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 LMNA 3606/4885HSD17B10 880/4885FDPS 680/4885

“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.